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349092-72-4 | 2-Bromo-N-(sec-butyl)benzamide
CAS No: 349092-72-4 Catalog No: AG003TC5 MDL No:MFCD01212208
Product Description
Catalog Number:
AG003TC5
Chemical Name:
2-Bromo-N-(sec-butyl)benzamide
CAS Number:
349092-72-4
Molecular Formula:
C11H14BrNO
Molecular Weight:
256.1390
MDL Number:
MFCD01212208
IUPAC Name:
2-bromo-N-butan-2-ylbenzamide
InChI:
InChI=1S/C11H14BrNO/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3H2,1-2H3,(H,13,14)
InChI Key:
PQOASHWPVVMDQI-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)c1ccccc1Br)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.143g/mol
Monoisotopic Mass:
255.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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