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81069-32-1 | 2-Propenenitrile, 3-(3,4-dichlorophenyl)-
CAS No: 81069-32-1 Catalog No: AG005HHV MDL No:
Product Description
Catalog Number:
AG005HHV
Chemical Name:
2-Propenenitrile, 3-(3,4-dichlorophenyl)-
CAS Number:
81069-32-1
Molecular Formula:
C9H5Cl2N
Molecular Weight:
198.0487
IUPAC Name:
3-(3,4-dichlorophenyl)prop-2-enenitrile
InChI:
InChI=1S/C9H5Cl2N/c10-8-4-3-7(2-1-5-12)6-9(8)11/h1-4,6H
InChI Key:
GUFUTTLYPPNHPE-UHFFFAOYSA-N
SMILES:
N#CC=Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.046g/mol
Monoisotopic Mass:
196.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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