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34256-78-5

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Basic Information
CAS No.: 34256-78-5
Name: (4-bromophenyl)carbamic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 34256-78-5 ((4-bromophenyl)carbamic acid)
Formula: C7H6BrNO2
Molecular Weight: 216.034
Synonyms: Carbanilicacid, p-bromo- (8CI);(4-Bromophenyl)carbamic acid;p-Bromophenylcarbamic acid;
Density: 1.804 g/cm3
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    Carbamic acid,(4-bromophenyl)- (9CI)

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    Carbamic acid,(4-bromophenyl)- (9CI)

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    (4-bromophenyl)carbamic acid

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Specification

The Carbamic acid, (4-bromophenyl)- (9CI), with the CAS registry number of 34256-78-5, is also known as Carbanilicacid, p-bromo- (8CI) and p-Bromophenylcarbamic acid. This chemical's molecular formula is C7H6BrNO2 and molecular weight is 216.032. What's more, its IUPAC name is (4-Bromophenyl)carbamic acid.

Physical properties about Carbamic acid, (4-bromophenyl)- (9CI) are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 45.11 cm3; (15)Molar Volume: 119.7 cm3; (16)Polarizability: 17.88×10-24 cm3; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.804 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(NC(=O)O)cc1
(2) InChI: InChI=1/C7H6BrNO2/c8-5-1-3-6(4-2-5)9-7(10)11/h1-4,9H,(H,10,11)
(3) InChIKey: PHVSUUGFGMGZPE-UHFFFAOYAL