Name: Name:2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (2Z)-
Brand: Angene
SKU: AG000SS6
Rating: 90 (10 reviews)

2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (2Z)-

CAS No.:

126417-77-4

Catalog Number:

AG000SS6

Molecular Formula:

C9H5ClFN

Molecular Weight:

181.5941

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

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.594g/mol

Monoisotopic Mass:

181.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6