Home Halogens 2-[(4-bromo-2-methylphenyl)amino]acetic acid

2-[(4-bromo-2-methylphenyl)amino]acetic acid

CAS No.:
66947-37-3
Catalog Number:
AG01BHOC
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
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Product Description
Catalog Number:
AG01BHOC
Chemical Name:
2-[(4-bromo-2-methylphenyl)amino]acetic acid
CAS Number:
66947-37-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD06849859
IUPAC Name:
2-(4-bromo-2-methylanilino)acetic acid
InChI:
InChI=1S/C9H10BrNO2/c1-6-4-7(10)2-3-8(6)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChI Key:
VLQCUVXTNBDRRF-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1ccc(cc1C)Br
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties