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Home > Nitro Compounds > 877130-83-1
877130-83-1 | Benzene, 1-methyl-2-nitro-4-propoxy-
CAS No: 877130-83-1 Catalog No: AG004NBQ MDL No:
Product Description
Catalog Number:
AG004NBQ
Chemical Name:
Benzene, 1-methyl-2-nitro-4-propoxy-
CAS Number:
877130-83-1
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
1-methyl-2-nitro-4-propoxybenzene
InChI:
InChI=1S/C10H13NO3/c1-3-6-14-9-5-4-8(2)10(7-9)11(12)13/h4-5,7H,3,6H2,1-2H3
InChI Key:
WCZYNYMYRMVSHM-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
190
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:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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