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7138-15-0 | 3-Bromo-2-Nitroaniline
CAS No: 7138-15-0 Catalog No: AG003J0R MDL No:MFCD08063248
Product Description
Catalog Number:
AG003J0R
Chemical Name:
3-Bromo-2-Nitroaniline
CAS Number:
7138-15-0
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD08063248
IUPAC Name:
3-bromo-2-nitroaniline
InChI:
InChI=1S/C6H5BrN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
InChI Key:
GLKHLBAXHLAQBJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)cccc1Br
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.953g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.022g/mol
Monoisotopic Mass:
215.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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