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137503-97-0

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Basic Information
CAS No.: 137503-97-0
Name: CHLOROAC-D-PHE-OH
Article Data: 2
Molecular Structure:
Molecular Structure of 137503-97-0 (CHLOROAC-D-PHE-OH)
Formula: C11H12ClNO3
Molecular Weight: 241.674
Synonyms: N-(Chloroacetyl)-D-phenylalanine;
EINECS: 932-536-4
Density: 1.312 g/cm3
Melting Point: 125 °C
Boiling Point: 482.2 °C at 760 mmHg
Flash Point: 245.4 °C
PSA: 66.40000
LogP: 1.42820
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Specification

The CAS registry number of D-Phenylalanine,N-(chloroacetyl)- (9CI) is 137503-97-0. This chemical is also named as (R)-2-(2-Chloroacetamido)-3-phenylpropanoic acid. In addition, its molecular formula is C11H12ClNO3 and molecular weight is 241.67. Its systematic name is called N-(Chloroacetyl)-D-phenylalanine.

Physical properties about D-Phenylalanine,N-(chloroacetyl)- (9CI) are: (1)ACD/LogP: 1.15; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 59.69 cm3; (12)Molar Volume: 184 cm3; (13)Surface Tension: 51.7 dyne/cm; (14)Density: 1.312 g/cm3; (15)Flash Point: 245.4 °C; (16)Enthalpy of Vaporization: 78.69 kJ/mol; (17)Boiling Point: 482.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)N[C@@H](C(=O)O)Cc1ccccc1
(2)InChI: InChI=1/C11H12ClNO3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)/t9-/m1/s1
(3)InChIKey: FUHGSOAURCZWCC-SECBINFHBU