105802-11-7
CHRYSENE, 5-METHYL-6-NITRO-
NameCHRYSENE, 5-METHYL-6-NITRO-
1Identification
【Name】
CHRYSENE, 5-METHYL-6-NITRO-
【CAS】
【MDL】
MFCD01736479
【English Synonyms】
【Formula】
C19 H13 N O2
【MolWeight】
287.317
【Inchi】
InChI=1S/C19H13NO2/c1-12-18-14-7-3-2-6-13(14)10-11-16(18)15-8-4-5-9-17(15)19(12)20(21)22/h2-11H,1H3
【InChIKey】
InChIKey=BRHWSCIEJDCELY-UHFFFAOYSA-N
【SMILES】
Cc1c2c3ccccc3ccc2c4ccccc4c1[N+](=O)[O-]
【MOL File】
CHRYSENE, 5-METHYL-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CHRYSENE, 5-METHYL-6-NITRO-.cml