Home Halogens Benzene, 1-chloro-3-(isocyanomethyl)-

Benzene, 1-chloro-3-(isocyanomethyl)-

CAS No.:
106106-81-4
Catalog Number:
AG007VQ5
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
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Product Description
Catalog Number:
AG007VQ5
Chemical Name:
Benzene, 1-chloro-3-(isocyanomethyl)-
CAS Number:
106106-81-4
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD26620466
IUPAC Name:
1-chloro-3-(isocyanomethyl)benzene
InChI:
InChI=1S/C8H6ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6H2
InChI Key:
DCNIQWCLKSMOFS-UHFFFAOYSA-N
SMILES:
[C-]#[N+]Cc1cccc(c1)Cl
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.593g/mol
Monoisotopic Mass:
151.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties