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Home > Fluorides > 1025509-81-2
1025509-81-2 | Benzene, 2-fluoro-4-(methylthio)-1-nitro-
CAS No: 1025509-81-2 Catalog No: AG0007PA MDL No:MFCD18070982
Product Description
Catalog Number:
AG0007PA
Chemical Name:
Benzene, 2-fluoro-4-(methylthio)-1-nitro-
CAS Number:
1025509-81-2
Molecular Formula:
C7H6FNO2S
Molecular Weight:
187.1914
MDL Number:
MFCD18070982
IUPAC Name:
2-fluoro-4-methylsulfanyl-1-nitrobenzene
InChI:
InChI=1S/C7H6FNO2S/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key:
PXQUZZSEHGFNQU-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)F)[N+](=O)[O-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.188g/mol
Monoisotopic Mass:
187.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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