Home Halogens Benzene, 2-chloro-4-fluoro-1-isothiocyanato- (9CI)

Benzene, 2-chloro-4-fluoro-1-isothiocyanato- (9CI)

CAS No.:
362601-84-1
Catalog Number:
AG00CP19
Molecular Formula:
C7H3ClFNS
Molecular Weight:
187.6218
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Product Description
Catalog Number:
AG00CP19
Chemical Name:
Benzene, 2-chloro-4-fluoro-1-isothiocyanato- (9CI)
CAS Number:
362601-84-1
Molecular Formula:
C7H3ClFNS
Molecular Weight:
187.6218
MDL Number:
MFCD03093792
IUPAC Name:
2-chloro-4-fluoro-1-isothiocyanatobenzene
InChI:
InChI=1S/C7H3ClFNS/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H
InChI Key:
JJFVJADZDGFVMQ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1Cl)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  
Properties