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118923-96-9

118923-96-9 | 1-Chloro-2-isocyano-3-methylbenzene

CAS No: 118923-96-9 Catalog No: AG003E7N MDL No:

Product Description

Catalog Number:
AG003E7N
Chemical Name:
1-Chloro-2-isocyano-3-methylbenzene
CAS Number:
118923-96-9
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
IUPAC Name:
1-chloro-2-isocyano-3-methylbenzene
InChI:
InChI=1S/C8H6ClN/c1-6-4-3-5-7(9)8(6)10-2/h3-5H,1H3
InChI Key:
FUJFVLJRBCVMHT-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1c(C)cccc1Cl

Properties

Complexity:
158  
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:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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