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88286-26-4 | 2-Propenenitrile, 2,3-dibromo-3-phenyl-
CAS No: 88286-26-4 Catalog No: AG0049TD MDL No:
Product Description
Catalog Number:
AG0049TD
Chemical Name:
2-Propenenitrile, 2,3-dibromo-3-phenyl-
CAS Number:
88286-26-4
Molecular Formula:
C9H5Br2N
Molecular Weight:
286.9507
IUPAC Name:
2,3-dibromo-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C9H5Br2N/c10-8(6-12)9(11)7-4-2-1-3-5-7/h1-5H
InChI Key:
NIUCTUFOAIZUPV-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1ccccc1)Br)Br
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.877g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.954g/mol
Monoisotopic Mass:
284.879g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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