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19241-35-1 | Benzene, 1-chloro-3-isothiocyanato-2-methyl-
CAS No: 19241-35-1 Catalog No: AG002FX6 MDL No:MFCD00022056
Product Description
Catalog Number:
AG002FX6
Chemical Name:
Benzene, 1-chloro-3-isothiocyanato-2-methyl-
CAS Number:
19241-35-1
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD00022056
IUPAC Name:
1-chloro-3-isothiocyanato-2-methylbenzene
InChI:
InChI=1S/C8H6ClNS/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
InChI Key:
ZXEZATIRZLJXFU-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1Cl)N=C=S
NSC Number:
134676
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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