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179897-92-8 | Benzene, 1-bromo-5-fluoro-2-methoxy-3-nitro-
CAS No: 179897-92-8 Catalog No: AG0027CS MDL No:MFCD10699605
Product Description
Catalog Number:
AG0027CS
Chemical Name:
Benzene, 1-bromo-5-fluoro-2-methoxy-3-nitro-
CAS Number:
179897-92-8
Molecular Formula:
C7H5BrFNO3
Molecular Weight:
250.0219
MDL Number:
MFCD10699605
IUPAC Name:
1-bromo-5-fluoro-2-methoxy-3-nitrobenzene
InChI:
InChI=1S/C7H5BrFNO3/c1-13-7-5(8)2-4(9)3-6(7)10(11)12/h2-3H,1H3
InChI Key:
RMUJVOPHLHFICQ-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1[N+](=O)[O-])F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.944g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.023g/mol
Monoisotopic Mass:
248.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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