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176961-57-2 | Benzamide, 4-bromo-3-methoxy-
CAS No: 176961-57-2 Catalog No: AG002510 MDL No:MFCD09475887
Product Description
Catalog Number:
AG002510
Chemical Name:
Benzamide, 4-bromo-3-methoxy-
CAS Number:
176961-57-2
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD09475887
IUPAC Name:
4-bromo-3-methoxybenzamide
InChI:
InChI=1S/C8H8BrNO2/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H2,10,11)
InChI Key:
YHMZDFBWPAFJOJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Br)C(=O)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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