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247170-25-8 | Benzene, 4-chloro-1-fluoro-2-isothiocyanato-
CAS No: 247170-25-8 Catalog No: AG002P6T MDL No:MFCD01313224
Product Description
Catalog Number:
AG002P6T
Chemical Name:
Benzene, 4-chloro-1-fluoro-2-isothiocyanato-
CAS Number:
247170-25-8
Molecular Formula:
C7H3ClFNS
Molecular Weight:
187.6218
MDL Number:
MFCD01313224
IUPAC Name:
4-chloro-1-fluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H3ClFNS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChI Key:
RUASREJPMXNHLF-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1N=C=S)Cl
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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