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Home > Nitro Compounds > 142279-85-4
142279-85-4 | 2-methoxy-1,3,4-trimethyl-5-nitrobenzene
CAS No: 142279-85-4 Catalog No: AG01DIO1 MDL No:MFCD21985348
Product Description
Catalog Number:
AG01DIO1
Chemical Name:
2-methoxy-1,3,4-trimethyl-5-nitrobenzene
CAS Number:
142279-85-4
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD21985348
IUPAC Name:
2-methoxy-1,3,4-trimethyl-5-nitrobenzene
InChI:
InChI=1S/C10H13NO3/c1-6-5-9(11(12)13)7(2)8(3)10(6)14-4/h5H,1-4H3
InChI Key:
JTWUVUXUTSTEJJ-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(c(c1C)C)[N+](=O)[O-]
Properties
Complexity:
214
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:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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