Home Nitro Compounds 1767-28-8
1767-28-8,MFCD01692926
Catalog No.:AA0024RV

1767-28-8 | 1-Pyrenol, 6-nitro-

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10mg
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100mg
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  • Technical Information
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Technical Information
Catalog Number:
AA0024RV
Chemical Name:
1-Pyrenol, 6-nitro-
CAS Number:
1767-28-8
Molecular Formula:
C16H9NO3
Molecular Weight:
263.2476
MDL Number:
MFCD01692926
SMILES:
Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
407  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
XLogP3:
4.5  

Literature

Title: Metabolic activation of carcinogenic 1-nitropyrene by human cytochrome P450 1B1 in Salmonella typhimurium strain expressing an O-acetyltransferase in SOS/umu assay.

Journal: Mutation research 20011018

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Tags:1767-28-8 Molecular Formula|1767-28-8 MDL|1767-28-8 SMILES|1767-28-8 1-Pyrenol, 6-nitro-