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18600-62-9

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Basic Information
CAS No.: 18600-62-9
Name: 2-[(2-BROMOBENZOYL)AMINO]BENZOIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 18600-62-9 (2-[(2-BROMOBENZOYL)AMINO]BENZOIC ACID)
Formula: C14H10BrNO3
Molecular Weight: 320.14
Synonyms: Anthranilicacid, N-(o-bromobenzoyl)- (8CI);
Density: 1.624 g/cm3
Boiling Point: 397.6 °C at 760 mmHg
Flash Point: 194.3 °C
PSA: 69.89000
LogP: 3.78360
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    2-[(2-BROMOBENZOYL)AMINO]BENZOIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Benzoic acid, 2-[(2-bromobenzoyl)amino]-, with the CAS registry number 18600-62-9, is also known as Anthranilicacid, N-(o-bromobenzoyl)- (8CI). This chemical's molecular formula is C14H10BrNO3 and molecular weight is 320.14. What's more, its systematic name is 2-[(2-Bromobenzoyl)amino]benzoic acid.

Physical properties about Benzoic acid, 2-[(2-bromobenzoyl)amino]- are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 3.87; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.03; (8)ACD/KOC (pH 7.4): 2.17; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 75.44 cm3; (15)Molar Volume: 197 cm3; (16)Polarizability: 29.91×10-24 cm3; (17)Surface Tension: 65 dyne/cm; (18)Density: 1.624 g/cm3; (19)Flash Point: 194.3 °C; (20)Enthalpy of Vaporization: 68.35 kJ/mol; (21)Boiling Point: 397.6 °C at 760 mmHg; (22)Vapour Pressure: 4.9E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1Br)Nc2ccccc2C(=O)O
(2) InChI: InChI=1/C14H10BrNO3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,(H,16,17)(H,18,19)
(3) InChIKey: QTRXBDNEMALOMI-UHFFFAOYAY