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1958-93-6 | 2-FLUORO-6-NITROBENZYL BROMIDE
CAS No: 1958-93-6 Catalog No: AG003HB8 MDL No:MFCD00042918
Product Description
Catalog Number:
AG003HB8
Chemical Name:
2-FLUORO-6-NITROBENZYL BROMIDE
CAS Number:
1958-93-6
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD00042918
IUPAC Name:
2-(bromomethyl)-1-fluoro-3-nitrobenzene
InChI:
InChI=1S/C7H5BrFNO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2
InChI Key:
KKSODTKRSQTJFZ-UHFFFAOYSA-N
SMILES:
BrCc1c(F)cccc1[N+](=O)[O-]
EC Number:
217-801-8
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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