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139058-18-7 | Benzoic acid, 3-bromo-4-[(2,2-dimethyl-1-oxopropyl)amino]-
CAS No: 139058-18-7 Catalog No: AG001A3B MDL No:MFCD11113010
Product Description
Catalog Number:
AG001A3B
Chemical Name:
Benzoic acid, 3-bromo-4-[(2,2-dimethyl-1-oxopropyl)amino]-
CAS Number:
139058-18-7
Molecular Formula:
C12H14BrNO3
Molecular Weight:
300.1485
MDL Number:
MFCD11113010
IUPAC Name:
3-bromo-4-(2,2-dimethylpropanoylamino)benzoic acid
InChI:
InChI=1S/C12H14BrNO3/c1-12(2,3)11(17)14-9-5-4-7(10(15)16)6-8(9)13/h4-6H,1-3H3,(H,14,17)(H,15,16)
InChI Key:
NAOQMMQCVVKTEJ-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccc(cc1Br)C(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.152g/mol
Monoisotopic Mass:
299.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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