Home Halogens 2-{[(4-bromophenyl)carbamoyl]amino}acetic acid

2-{[(4-bromophenyl)carbamoyl]amino}acetic acid

CAS No.:
3744-13-6
Catalog Number:
AG01A7VM
Molecular Formula:
C9H9BrN2O3
Molecular Weight:
273.0834
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Product Description
Catalog Number:
AG01A7VM
Chemical Name:
2-{[(4-bromophenyl)carbamoyl]amino}acetic acid
CAS Number:
3744-13-6
Molecular Formula:
C9H9BrN2O3
Molecular Weight:
273.0834
MDL Number:
MFCD09808994
IUPAC Name:
2-[(4-bromophenyl)carbamoylamino]acetic acid
InChI:
InChI=1S/C9H9BrN2O3/c10-6-1-3-7(4-2-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15)
InChI Key:
MNYMVAJOBVMXML-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)NCC(=O)O
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.98g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
273.086g/mol
Monoisotopic Mass:
271.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties