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Home > Nitro Compounds > 1515-84-0
1515-84-0 | Benzene, 1-(methoxymethyl)-3-nitro-
CAS No: 1515-84-0 Catalog No: AG001NDK MDL No:MFCD18070994
Product Description
Catalog Number:
AG001NDK
Chemical Name:
Benzene, 1-(methoxymethyl)-3-nitro-
CAS Number:
1515-84-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD18070994
IUPAC Name:
1-(methoxymethyl)-3-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3
InChI Key:
AQBJFFGQNRWTMM-UHFFFAOYSA-N
SMILES:
COCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
155
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:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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