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2- (2-Bromophenyl) acetamide

CAT: 0127-OR1062852-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1062852-01Size:250 mg
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CAS Number
65999-53-3
MDL Number
MFCD00099254
Purity
98%
Smiles
O=C(N)CC1=CC=CC=C1Br

Chemical Information

2-(2-Bromophenyl)Acetamide
CAS Number65999-53-3
PubChem CID612037
IUPAC Name2-(2-bromophenyl)acetamide
Molecular FormulaC8H8BrNO
Molecular Weight214.06
XLogP1.4
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity149
SMILES
C1=CC=C(C(=C1)CC(=O)N)Br
InChI
InChI=1S/C8H8BrNO/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
DSZYKMGSRABUEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Bromophenyl)Acetamide
CAS: 65999-53-3
CID: 612037
Formula: C8H8BrNO
MW: 214.06
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight214.06
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass212.97893
Monoisotopic Mass212.97893
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity149
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