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137724-66-4

137724-66-4 | Benzene, 2-chloro-1-fluoro-4-isothiocyanato-

CAS No: 137724-66-4 Catalog No: AG0013S8 MDL No:MFCD00060700

Product Description

Catalog Number:
AG0013S8
Chemical Name:
Benzene, 2-chloro-1-fluoro-4-isothiocyanato-
CAS Number:
137724-66-4
Molecular Formula:
C7H3ClFNS
Molecular Weight:
187.6218
MDL Number:
MFCD00060700
IUPAC Name:
2-chloro-1-fluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H3ClFNS/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H
InChI Key:
BUVRIIKIGKFOKD-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)Cl)F

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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