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Home > Nitro Compounds > 124390-37-0
124390-37-0 | Chrysene, 5-methyl-12-nitro-
CAS No: 124390-37-0 Catalog No: AG000LXT MDL No:
Product Description
Catalog Number:
AG000LXT
Chemical Name:
Chrysene, 5-methyl-12-nitro-
CAS Number:
124390-37-0
Molecular Formula:
C19H13NO2
Molecular Weight:
287.3120
IUPAC Name:
5-methyl-12-nitrochrysene
InChI:
InChI=1S/C19H13NO2/c1-12-10-13-6-2-3-7-14(13)17-11-18(20(21)22)15-8-4-5-9-16(15)19(12)17/h2-11H,1H3
InChI Key:
OMBRRTHRPGDGPK-UHFFFAOYSA-N
SMILES:
Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-]
UNII:
G334O56391
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.318g/mol
Monoisotopic Mass:
287.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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