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N- (2-Bromophenyl) -N-Methylnitrous Amide

CAT: 1299-RG-B181575-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-B181575-01Size:10 mg
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CAS Number
17576-86-2
Synonyms
N- (2-bromophenyl) -N-methylnitrous amide
Molecular Formula
C7H7BrN2O
Molecular Weight
215.05
Product Name Synonym
N- (2-bromophenyl) -N-methylnitrous amide

Chemical Information

CID 168490703
CAS Number17576-86-2
PubChem CID168490703
IUPAC NameN-(2-bromophenyl)-N-methylnitrous amide
Molecular FormulaC7H7BrN2O
Molecular Weight215.05
XLogP2.4
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity142
SMILES
CN(C1=CC=CC=C1Br)N=O
InChI
InChI=1S/C7H7BrN2O/c1-10(9-11)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
IZGCCPNMZRXRJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 168490703
CAS: 17576-86-2
CID: 168490703
Formula: C7H7BrN2O
MW: 215.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight215.05
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass213.97418
Monoisotopic Mass213.97418
Topological Polar Surface Area32.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity142
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