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126417-77-4 | 2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (2Z)-
CAS No: 126417-77-4 Catalog No: AG000SS6 MDL No:MFCD00052069
Product Description
Catalog Number:
AG000SS6
Chemical Name:
2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (2Z)-
CAS Number:
126417-77-4
Molecular Formula:
C9H5ClFN
Molecular Weight:
181.5941
MDL Number:
MFCD00052069
IUPAC Name:
3-chloro-3-(4-fluorophenyl)prop-2-enenitrile
InChI:
InChI=1S/C9H5ClFN/c10-9(5-6-12)7-1-3-8(11)4-2-7/h1-5H
InChI Key:
QYJZLGBSSYBYSY-UHFFFAOYSA-N
SMILES:
N#C/C=C(/c1ccc(cc1)F)\Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.594g/mol
Monoisotopic Mass:
181.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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