Home Halogens 3-(4-bromo-3-chlorophenyl)-3-chloroprop-2-enenitrile

3-(4-bromo-3-chlorophenyl)-3-chloroprop-2-enenitrile

CAS No.:
1564055-36-2
Catalog Number:
AG01B2KF
Molecular Formula:
C9H4BrCl2N
Molecular Weight:
276.9448
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Product Description
Catalog Number:
AG01B2KF
Chemical Name:
3-(4-bromo-3-chlorophenyl)-3-chloroprop-2-enenitrile
CAS Number:
1564055-36-2
Molecular Formula:
C9H4BrCl2N
Molecular Weight:
276.9448
MDL Number:
MFCD29991647
IUPAC Name:
3-(4-bromo-3-chlorophenyl)-3-chloroprop-2-enenitrile
InChI:
InChI=1S/C9H4BrCl2N/c10-7-2-1-6(5-9(7)12)8(11)3-4-13/h1-3,5H
InChI Key:
JSLWDBOZZLJZQW-UHFFFAOYSA-N
SMILES:
N#CC=C(c1ccc(c(c1)Cl)Br)Cl
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.89g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.942g/mol
Monoisotopic Mass:
274.89g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.8  
Properties