858340-91-7
1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 5-NITRO-1-(PHENYLSULFONYL)-, METHYL ESTER
Name
1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 5-NITRO-1-(PHENYLSULFONYL)-, METHYL ESTER
Formula
C15 H11 N3 O6 S
MolWeight
361.333
1Identification
【Name】
1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 5-NITRO-1-(PHENYLSULFONYL)-, METHYL ESTER
【CAS】
【MDL】
MFCD11616458
【English Synonyms】
【Formula】
C15 H11 N3 O6 S
【MolWeight】
361.333
【Inchi】
InChI=1S/C15H11N3O6S/c1-24-15(19)13-9-17(25(22,23)11-5-3-2-4-6-11)14-12(13)7-10(8-16-14)18(20)21/h2-9H,1H3
【InChIKey】
InChIKey=FPYPFZYYLWIUGY-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cn(c2c1cc(cn2)[N+](=O)[O-])S(=O)(=O)c3ccccc3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 5-NITRO-1-(PHENYLSULFONYL)-, METHYL ESTER.cml
Quick Release
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