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127142-65-8 | Benzene, 1-chloro-2-fluoro-3-isothiocyanato-
CAS No: 127142-65-8 Catalog No: AG000WPM MDL No:MFCD03840362
Product Description
Catalog Number:
AG000WPM
Chemical Name:
Benzene, 1-chloro-2-fluoro-3-isothiocyanato-
CAS Number:
127142-65-8
Molecular Formula:
C7H3ClFNS
Molecular Weight:
187.6218
MDL Number:
MFCD03840362
IUPAC Name:
1-chloro-2-fluoro-3-isothiocyanatobenzene
InChI:
InChI=1S/C7H3ClFNS/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
InChI Key:
KXLASHWNSHAULP-UHFFFAOYSA-N
SMILES:
Fc1c(cccc1Cl)N=C=S
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.966g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.616g/mol
Monoisotopic Mass:
186.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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