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2740-88-7 | 4-FLUOROBENZYL ISOTHIOCYANATE
CAS No: 2740-88-7 Catalog No: AG003LF9 MDL No:MFCD00041115
Product Description
Catalog Number:
AG003LF9
Chemical Name:
4-FLUOROBENZYL ISOTHIOCYANATE
CAS Number:
2740-88-7
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
MDL Number:
MFCD00041115
IUPAC Name:
1-fluoro-4-(isothiocyanatomethyl)benzene
InChI:
InChI=1S/C8H6FNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChI Key:
LPVNPJMEWWUFHD-UHFFFAOYSA-N
SMILES:
S=C=NCc1ccc(cc1)F
EC Number:
220-368-8
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.201g/mol
Monoisotopic Mass:
167.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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