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2-Bromo-N- (4-bromophenyl) propanamide

CAT: 0127-OR21013Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
42276-46-0
MDL Number
MFCD00466095
Smiles
CC (Br) C (=O) Nc1ccc (Br) cc1

Chemical Information

2-bromo-N-(4-bromophenyl)propanamide
CAS Number42276-46-0
PubChem CID532260
IUPAC Name2-bromo-N-(4-bromophenyl)propanamide
Molecular FormulaC9H9Br2NO
Molecular Weight306.98
XLogP3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity178
SMILES
CC(C(=O)NC1=CC=C(C=C1)Br)Br
InChI
InChI=1S/C9H9Br2NO/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13)
InChIKey
FJXNJUQSLIKVOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-bromo-N-(4-bromophenyl)propanamide
CAS: 42276-46-0
CID: 532260
Formula: C9H9Br2NO
MW: 306.98
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.98
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass306.90304
Monoisotopic Mass304.90509
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-3071392-Bromo-N- (4-methoxyphenyl) propanamide
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