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22246-45-3
7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE
Name
7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE
Formula
C10 H10 N2 O3
MolWeight
206.2
1Identification
【Name】
7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE
【CAS】
【MDL】
MFCD00985061
【English Synonyms】
【Formula】
C10 H10 N2 O3
【MolWeight】
206.2
【Inchi】
InChI=1S/C10H10N2O3/c13-10-3-1-2-7-6-8(12(14)15)4-5-9(7)11-10/h4-6H,1-3H2,(H,11,13)
【InChIKey】
InChIKey=ASVGSXZZZWXPRE-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1[N+](=O)[O-])CCCC(=O)N2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE.cml
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