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Home > Nitro Compounds > 1820685-08-2
1820685-08-2 | 4-nitro-2-(propan-2-yl)aniline hydrochloride
CAS No: 1820685-08-2 Catalog No: AG01AN0K MDL No:MFCD29034102
Product Description
Catalog Number:
AG01AN0K
Chemical Name:
4-nitro-2-(propan-2-yl)aniline hydrochloride
CAS Number:
1820685-08-2
Molecular Formula:
C9H13ClN2O2
Molecular Weight:
216.6647
MDL Number:
MFCD29034102
IUPAC Name:
4-nitro-2-propan-2-ylaniline;hydrochloride
InChI:
InChI=1S/C9H12N2O2.ClH/c1-6(2)8-5-7(11(12)13)3-4-9(8)10;/h3-6H,10H2,1-2H3;1H
InChI Key:
XUYIQPNTSXKTBR-UHFFFAOYSA-N
SMILES:
CC(c1cc(ccc1N)[N+](=O)[O-])C.Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.665g/mol
Monoisotopic Mass:
216.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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