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Home > Nitro Compounds > 18102-29-9
18102-29-9 | Benzene, 2-methoxy-1-methyl-3-nitro-
CAS No: 18102-29-9 Catalog No: AG0022MK MDL No:MFCD00661626
Product Description
Catalog Number:
AG0022MK
Chemical Name:
Benzene, 2-methoxy-1-methyl-3-nitro-
CAS Number:
18102-29-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00661626
IUPAC Name:
2-methoxy-1-methyl-3-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3
InChI Key:
OCSBJPCSPDPAQL-UHFFFAOYSA-N
SMILES:
COc1c(C)cccc1[N+](=O)[O-]
NSC Number:
167598
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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