Home Halogens 3-chloro-4-(chloromethyl)benzonitrile

3-chloro-4-(chloromethyl)benzonitrile

CAS No.:
64262-07-3
Catalog Number:
AG01C5JU
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
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Product Description
Catalog Number:
AG01C5JU
Chemical Name:
3-chloro-4-(chloromethyl)benzonitrile
CAS Number:
64262-07-3
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
MDL Number:
MFCD18392465
IUPAC Name:
3-chloro-4-(chloromethyl)benzonitrile
InChI:
InChI=1S/C8H5Cl2N/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2
InChI Key:
WVZDCUOCGWRHML-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)CCl
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.98g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.035g/mol
Monoisotopic Mass:
184.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties