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1806475-40-0 | Phenol, 3-fluoro-5-methyl-2-nitro-
CAS No: 1806475-40-0 Catalog No: AG00226U MDL No:
Product Description
Catalog Number:
AG00226U
Chemical Name:
Phenol, 3-fluoro-5-methyl-2-nitro-
CAS Number:
1806475-40-0
Molecular Formula:
C7H6FNO3
Molecular Weight:
171.1258
IUPAC Name:
3-fluoro-5-methyl-2-nitrophenol
InChI:
InChI=1S/C7H6FNO3/c1-4-2-5(8)7(9(11)12)6(10)3-4/h2-3,10H,1H3
InChI Key:
KMTSWRQDQLLGLF-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(c1)F)[N+](=O)[O-]
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.127g/mol
Monoisotopic Mass:
171.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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