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123019-95-4 | Propanoic acid, 3-[(2-bromophenyl)amino]-3-oxo-
CAS No: 123019-95-4 Catalog No: AG000JZ4 MDL No:MFCD16692490
Product Description
Catalog Number:
AG000JZ4
Chemical Name:
Propanoic acid, 3-[(2-bromophenyl)amino]-3-oxo-
CAS Number:
123019-95-4
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD16692490
IUPAC Name:
3-(2-bromoanilino)-3-oxopropanoic acid
InChI:
InChI=1S/C9H8BrNO3/c10-6-3-1-2-4-7(6)11-8(12)5-9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)
InChI Key:
JLSGNTVMVLHUOE-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1Br)CC(=O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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