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55215-57-1 | 3-bromo-5-nitroaniline
CAS No: 55215-57-1 Catalog No: AG00367U MDL No:MFCD00462820
Product Description
Catalog Number:
AG00367U
Chemical Name:
3-bromo-5-nitroaniline
CAS Number:
55215-57-1
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD00462820
IUPAC Name:
3-bromo-5-nitroaniline
InChI:
InChI=1S/C6H5BrN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2
InChI Key:
GWLFQPJKTXGLGD-UHFFFAOYSA-N
SMILES:
Nc1cc(Br)cc(c1)[N+](=O)[O-]
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:
2.8
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