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Phenol,2-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)-

CAS
108877-44-7
Catalog Number
ACM108877447
Category
Other Products
Molecular Weight
229.28
Molecular Formula
C13H15N3O

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Specification

Synonyms
108877-44-7, 2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenol, Phenol,2-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)-, AC1O9CMP, 2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol, ACMC-1C398, 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)benzenol, CTK4A6221, ANW-55871, ZINC17835755, AG-D-25504, KB-124094, KB-223463, Phenol,o-(6,7,8,9-tetrahydro-5H-s-triazolo[4,3-a]azepin-3-yl)- (6CI);, 6-(2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ylidene)cyclohexa-2,4-dien-1-one
IUPAC Name
6-(2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ylidene)cyclohexa-2,4-dien-1-one
Canonical SMILES
C1CCC2=NNC(=C3C=CC=CC3=O)N2CC1
InChI Key
DPDKVBKOYINOLM-UHFFFAOYSA-N
Boiling Point
365.6ºC at 760mmHg
Flash Point
174.9ºC
Density
1.31g/cm³
Exact Mass
229.12200
H-Bond Acceptor
3
H-Bond Donor
1
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