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Home > Nitro Compounds > 4319-20-4
4319-20-4 | 3-nitro-N-(propan-2-yl)aniline
CAS No: 4319-20-4 Catalog No: AG01AXGM MDL No:MFCD12173827
Product Description
Catalog Number:
AG01AXGM
Chemical Name:
3-nitro-N-(propan-2-yl)aniline
CAS Number:
4319-20-4
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD12173827
IUPAC Name:
3-nitro-N-propan-2-ylaniline
InChI:
InChI=1S/C9H12N2O2/c1-7(2)10-8-4-3-5-9(6-8)11(12)13/h3-7,10H,1-2H3
InChI Key:
ZRXBZMVVHXLWNA-UHFFFAOYSA-N
SMILES:
CC(Nc1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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