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132475-93-5 | Benzenamine, 2-(1-methylethyl)-5-nitro-
CAS No: 132475-93-5 Catalog No: AG0010PT MDL No:MFCD22188519
Product Description
Catalog Number:
AG0010PT
Chemical Name:
Benzenamine, 2-(1-methylethyl)-5-nitro-
CAS Number:
132475-93-5
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD22188519
IUPAC Name:
5-nitro-2-propan-2-ylaniline
InChI:
InChI=1S/C9H12N2O2/c1-6(2)8-4-3-7(11(12)13)5-9(8)10/h3-6H,10H2,1-2H3
InChI Key:
VKEVGYZHNPSPOF-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1N)[N+](=O)[O-])C
Properties
Complexity:
189
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:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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