Home Halogens Benzoic acid, 2-[(bromoacetyl)amino]-, methyl ester

Benzoic acid, 2-[(bromoacetyl)amino]-, methyl ester

CAS No.:
5946-43-0
Catalog Number:
AG00IAK1
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
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Product Description
Catalog Number:
AG00IAK1
Chemical Name:
Benzoic acid, 2-[(bromoacetyl)amino]-, methyl ester
CAS Number:
5946-43-0
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
MDL Number:
MFCD02974379
IUPAC Name:
methyl 2-[(2-bromoacetyl)amino]benzoate
InChI:
InChI=1S/C10H10BrNO3/c1-15-10(14)7-4-2-3-5-8(7)12-9(13)6-11/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
BTRCQDXXRNYMAS-UHFFFAOYSA-N
SMILES:
BrCC(=O)Nc1ccccc1C(=O)OC
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.984g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.098g/mol
Monoisotopic Mass:
270.984g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties