574729-28-5
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-[(3-CHLOROBENZOYL)AMINO]-5-NITRO-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 3-[(3-CHLOROBENZOYL)AMINO]-5-NITRO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-[(3-CHLOROBENZOYL)AMINO]-5-NITRO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183008
【English Synonyms】
【Formula】
C19 H17 Cl N4 O5
【MolWeight】
416.819
【Inchi】
InChI=1S/C19H17ClN4O5/c1-19(2,3)29-18(26)23-15-8-7-13(24(27)28)10-14(15)16(22-23)21-17(25)11-5-4-6-12(20)9-11/h4-10H,1-3H3,(H,21,22,25)
【InChIKey】
InChIKey=WZKRIRVADKFFRO-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2ccc(cc2c(n1)NC(=O)c3cccc(c3)Cl)[N+](=O)[O-]
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-[(3-CHLOROBENZOYL)AMINO]-5-NITRO-, 1,1-DIMETHYLETHYL ESTER.cml