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Home > Nitro Compounds > 89597-17-1
89597-17-1 | Anthracene, 2-methyl-3-nitro-
CAS No: 89597-17-1 Catalog No: AG003X6B MDL No:
Product Description
Catalog Number:
AG003X6B
Chemical Name:
Anthracene, 2-methyl-3-nitro-
CAS Number:
89597-17-1
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
2-methyl-3-nitroanthracene
InChI:
InChI=1S/C15H11NO2/c1-10-6-13-7-11-4-2-3-5-12(11)8-14(13)9-15(10)16(17)18/h2-9H,1H3
InChI Key:
VDQWLWQFGUDHPO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc3ccccc3cc2cc1C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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