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173312-36-2 | Benzenamine, 4-bromo-5-methoxy-2-nitro-
CAS No: 173312-36-2 Catalog No: AG001YSJ MDL No:MFCD13659425
Product Description
Catalog Number:
AG001YSJ
Chemical Name:
Benzenamine, 4-bromo-5-methoxy-2-nitro-
CAS Number:
173312-36-2
Molecular Formula:
C7H7BrN2O3
Molecular Weight:
247.0461
MDL Number:
MFCD13659425
IUPAC Name:
4-bromo-5-methoxy-2-nitroaniline
InChI:
InChI=1S/C7H7BrN2O3/c1-13-7-3-5(9)6(10(11)12)2-4(7)8/h2-3H,9H2,1H3
InChI Key:
JYXJPWNTXBYKMD-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.048g/mol
Monoisotopic Mass:
245.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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