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Home > Nitro Compounds > 36778-56-0
36778-56-0 | 2-isopropyl-5-methyl-4-nitrophenol
CAS No: 36778-56-0 Catalog No: AG00JH07 MDL No:MFCD00463511
Product Description
Catalog Number:
AG00JH07
Chemical Name:
2-isopropyl-5-methyl-4-nitrophenol
CAS Number:
36778-56-0
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD00463511
IUPAC Name:
5-methyl-4-nitro-2-propan-2-ylphenol
InChI:
InChI=1S/C10H13NO3/c1-6(2)8-5-9(11(13)14)7(3)4-10(8)12/h4-6,12H,1-3H3
InChI Key:
OGPLVXFNLLOORV-UHFFFAOYSA-N
SMILES:
CC(c1cc([N+](=O)[O-])c(cc1O)C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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