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886361-83-7 | Benzenepropanenitrile,2-bromo-a-[(dimethylamino)methylene]-b-oxo-
CAS No: 886361-83-7 Catalog No: AG004A5C MDL No:MFCD08276956
Product Description
Catalog Number:
AG004A5C
Chemical Name:
Benzenepropanenitrile,2-bromo-a-[(dimethylamino)methylene]-b-oxo-
CAS Number:
886361-83-7
Molecular Formula:
C12H11BrN2O
Molecular Weight:
279.1325
MDL Number:
MFCD08276956
IUPAC Name:
(E)-2-(2-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile
InChI:
InChI=1S/C12H11BrN2O/c1-15(2)8-9(7-14)12(16)10-5-3-4-6-11(10)13/h3-6,8H,1-2H3/b9-8+
InChI Key:
YACLVWZVUUPOTD-CMDGGOBGSA-N
SMILES:
N#CC(=CN(C)C)C(=O)c1ccccc1Br
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
278.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.137g/mol
Monoisotopic Mass:
278.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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