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Home > Nitro Compounds > 14804-39-8
14804-39-8 | Benzene, 2-methoxy-1,3-dimethyl-5-nitro-
CAS No: 14804-39-8 Catalog No: AG001FE9 MDL No:MFCD00024537
Product Description
Catalog Number:
AG001FE9
Chemical Name:
Benzene, 2-methoxy-1,3-dimethyl-5-nitro-
CAS Number:
14804-39-8
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00024537
IUPAC Name:
2-methoxy-1,3-dimethyl-5-nitrobenzene
InChI:
InChI=1S/C9H11NO3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3
InChI Key:
HSDNHFOJTRMGER-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)[N+](=O)[O-]
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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