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127349-56-8 | Benzene, 1-(bromomethyl)-2-fluoro-4-nitro-
CAS No: 127349-56-8 Catalog No: AG000WXY MDL No:MFCD10000853
Product Description
Catalog Number:
AG000WXY
Chemical Name:
Benzene, 1-(bromomethyl)-2-fluoro-4-nitro-
CAS Number:
127349-56-8
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD10000853
IUPAC Name:
1-(bromomethyl)-2-fluoro-4-nitrobenzene
InChI:
InChI=1S/C7H5BrFNO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2
InChI Key:
TWQCQFRJJOQBRP-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1F)[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:
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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