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Glycine,N-[(4-bromophenyl)sulfonyl]-

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Name

Glycine,N-[(4-bromophenyl)sulfonyl]-

EINECS
CAS No. 13029-73-7 Density 1.757g/cm3
Solubility Melting Point 195-198°C
Formula C8H8BrNO4S Boiling Point 464.8 °C at 760 mmHg
Molecular Weight 294.12 Flash Point 234.9 °C
Transport Information Appearance
Safety Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 13029-73-7 (Glycine,N-[(4-bromophenyl)sulfonyl]-) Hazard Symbols IrritantXi
Synonyms

Glycine,N-[(p-bromophenyl)sulfonyl]- (7CI,8CI);2-(4-Bromobenzenesulfonamido)aceticacid;

 

Glycine,N-[(4-bromophenyl)sulfonyl]- Specification

The Glycine,N-[(4-bromophenyl)sulfonyl]-, with CAS registry number 13029-73-7, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Sulfonamides. It has the systematic name of N-[(4-bromophenyl)sulfonyl]glycine. Besides this, it is also called 2-([(4-Bromophenyl)sulfonyl]amino)acetic acid. And the chemical formula of this chemical is C8H8BrNO4S.

Physical properties of Glycine,N-[(4-bromophenyl)sulfonyl]-: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.06 Å2; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 57.85 cm3; (13)Molar Volume: 167.3 cm3; (14)Polarizability: 22.93×10-24cm3; (15)Surface Tension: 59.5 dyne/cm; (16)Density: 1.757 g/cm3; (17)Flash Point: 234.9 °C; (18)Enthalpy of Vaporization: 76.53 kJ/mol; (19)Boiling Point: 464.8 °C at 760 mmHg; (20)Vapour Pressure: 1.93E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Br)cc1)NCC(=O)O
(2)InChI: InChI=1/C8H8BrNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
(3)InChIKey: NDAHRASKKXWZMD-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H8BrNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
(5)Std. InChIKey: NDAHRASKKXWZMD-UHFFFAOYSA-N

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