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33240-96-9 | 3-Nitroaniline hydrochloride
CAS No: 33240-96-9 Catalog No: AG003JSY MDL No:MFCD00050693
Product Description
Catalog Number:
AG003JSY
Chemical Name:
3-Nitroaniline hydrochloride
CAS Number:
33240-96-9
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD00050693
IUPAC Name:
3-nitroaniline;hydrochloride
InChI:
InChI=1S/C6H6N2O2.ClH/c7-5-2-1-3-6(4-5)8(9)10;/h1-4H,7H2;1H
InChI Key:
FWUUMDDHHPVSPL-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)[N+](=O)[O-].Cl
EC Number:
251-421-3
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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