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N- (3-bromophenyl) pivalamide

CAT: 0127-OR1099366-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1099366-01Size:250 mg
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CAS Number
195389-97-0
Purity
97%
Smiles
C1c (cc (cc1) NC (=O) C (C) (C) C) Br

Chemical Information

N-(3-bromophenyl)-2,2-dimethylpropanamide
CAS Number195389-97-0
PubChem CID4461573
IUPAC NameN-(3-bromophenyl)-2,2-dimethylpropanamide
Molecular FormulaC11H14BrNO
Molecular Weight256.14
XLogP3.7
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity210
SMILES
CC(C)(C)C(=O)NC1=CC(=CC=C1)Br
InChI
InChI=1S/C11H14BrNO/c1-11(2,3)10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChIKey
LIJYXDKEMCTTAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-bromophenyl)-2,2-dimethylpropanamide
CAS: 195389-97-0
CID: 4461573
Formula: C11H14BrNO
MW: 256.14
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.14
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass255.02588
Monoisotopic Mass255.02588
Topological Polar Surface Area29.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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