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79858-67-6 | 2-ISOPROPYL-6-NITROANILINE
CAS No: 79858-67-6 Catalog No: AG004ZF0 MDL No:
Product Description
Catalog Number:
AG004ZF0
Chemical Name:
2-ISOPROPYL-6-NITROANILINE
CAS Number:
79858-67-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
2-nitro-6-propan-2-ylaniline
InChI:
InChI=1S/C9H12N2O2/c1-6(2)7-4-3-5-8(9(7)10)11(12)13/h3-6H,10H2,1-2H3
InChI Key:
YXWXCSITLKQDLA-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1N)[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:
2.7
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