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10172-35-7 | Benzenamine, 2-bromo-4-methoxy-6-nitro-
CAS No: 10172-35-7 Catalog No: AG0005BD MDL No:MFCD18088521
Product Description
Catalog Number:
AG0005BD
Chemical Name:
Benzenamine, 2-bromo-4-methoxy-6-nitro-
CAS Number:
10172-35-7
Molecular Formula:
C7H7BrN2O3
Molecular Weight:
247.0461
MDL Number:
MFCD18088521
IUPAC Name:
2-bromo-4-methoxy-6-nitroaniline
InChI:
InChI=1S/C7H7BrN2O3/c1-13-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3
InChI Key:
FYCRRMSGEDGSFS-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c(c1)[N+](=O)[O-])N
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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