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1696076-74-0 | 2-Bromo-N,3-dimethylbenzamide
CAS No: 1696076-74-0 Catalog No: AG01FF7D MDL No:
Product Description
Catalog Number:
AG01FF7D
Chemical Name:
2-Bromo-N,3-dimethylbenzamide
CAS Number:
1696076-74-0
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
IUPAC Name:
2-bromo-N,3-dimethylbenzamide
InChI:
InChI=1S/C9H10BrNO/c1-6-4-3-5-7(8(6)10)9(12)11-2/h3-5H,1-2H3,(H,11,12)
InChI Key:
PBXWJIRCJNHBCD-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cccc(c1Br)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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