Home Halogens 3-(3-chlorophenyl)prop-2-ynenitrile

3-(3-chlorophenyl)prop-2-ynenitrile

CAS No.:
935528-57-7
Catalog Number:
AG01C050
Molecular Formula:
C9H4ClN
Molecular Weight:
161.5878
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Product Description
Catalog Number:
AG01C050
Chemical Name:
3-(3-chlorophenyl)prop-2-ynenitrile
CAS Number:
935528-57-7
Molecular Formula:
C9H4ClN
Molecular Weight:
161.5878
MDL Number:
MFCD26636680
IUPAC Name:
3-(3-chlorophenyl)prop-2-ynenitrile
InChI:
InChI=1S/C9H4ClN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H
InChI Key:
PTVRFXLWFOULPN-UHFFFAOYSA-N
SMILES:
N#CC#Cc1cccc(c1)Cl
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.003g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.588g/mol
Monoisotopic Mass:
161.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties