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126759-46-4 | Benzoic acid, 3-(acetylamino)-2-bromo-, methyl ester
CAS No: 126759-46-4 Catalog No: AG000T73 MDL No:
Product Description
Catalog Number:
AG000T73
Chemical Name:
Benzoic acid, 3-(acetylamino)-2-bromo-, methyl ester
CAS Number:
126759-46-4
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
IUPAC Name:
methyl 3-acetamido-2-bromobenzoate
InChI:
InChI=1S/C10H10BrNO3/c1-6(13)12-8-5-3-4-7(9(8)11)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChI Key:
IMIAEZYCENDRKT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1Br)NC(=O)C
Properties
Complexity:
257
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:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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