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88330-64-7 | Benzene, 2-chloro-1-isocyanato-3-methyl-
CAS No: 88330-64-7 Catalog No: AG00483O MDL No:MFCD18393697
Product Description
Catalog Number:
AG00483O
Chemical Name:
Benzene, 2-chloro-1-isocyanato-3-methyl-
CAS Number:
88330-64-7
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD18393697
IUPAC Name:
2-chloro-1-isocyanato-3-methylbenzene
InChI:
InChI=1S/C8H6ClNO/c1-6-3-2-4-7(8(6)9)10-5-11/h2-4H,1H3
InChI Key:
DXYBXUDLZCMXCD-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1Cl)N=C=O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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