Home Halogens Benzene, 1,3-dichloromethyl-

Benzene, 1,3-dichloromethyl-

CAS No.:
626-16-4
Catalog Number:
AG00IB1Q
Molecular Formula:
C8H8Cl2
Molecular Weight:
175.0551
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Product Description
Catalog Number:
AG00IB1Q
Chemical Name:
Benzene, 1,3-dichloromethyl-
CAS Number:
626-16-4
Molecular Formula:
C8H8Cl2
Molecular Weight:
175.0551
MDL Number:
MFCD00000912
IUPAC Name:
1,3-bis(chloromethyl)benzene
InChI:
InChI=1S/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
InChI Key:
GRJWOKACBGZOKT-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)CCl
EC Number:
210-932-1
NSC Number:
96971
Properties
Complexity:
83.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.052g/mol
Monoisotopic Mass:
174g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
2,2'-Dimethyl-2,2'-(m-phenyl-ene-dimethyl-ene)propane-dinitrile. Acta crystallographica. Section E, Structure reports online 20090701
Properties