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15017-52-4 | Benzene, 4-(bromomethyl)-1-fluoro-2-nitro-
CAS No: 15017-52-4 Catalog No: AG001MEA MDL No:MFCD03412241
Product Description
Catalog Number:
AG001MEA
Chemical Name:
Benzene, 4-(bromomethyl)-1-fluoro-2-nitro-
CAS Number:
15017-52-4
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD03412241
IUPAC Name:
4-(bromomethyl)-1-fluoro-2-nitrobenzene
InChI:
InChI=1S/C7H5BrFNO2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,4H2
InChI Key:
OAMKMERAYXDUEW-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)[N+](=O)[O-])F
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.024g/mol
Monoisotopic Mass:
232.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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