AG019K4B

Name: 3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
Brand: Angene Chemical
SKU: AG019K4B

923256-33-1 | 3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol

AG019K4B

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CAS Number	923256-33-1
Catalog Number	AG019K4B
Chemical Name	3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
IUPAC Name	3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenol
InChI	InChI=1S/C13H15N3O/c17-11-6-4-5-10(9-11)13-15-14-12-7-2-1-3-8-16(12)13/h4-6,9,17H,1-3,7-8H2
InChI Key	MDVXGUQWECPHRT-UHFFFAOYSA-N
MDL Number	MFCD08444386
Molecular Formula	C13H15N3O
Molecular Weight	229.2777
SMILES	OC1=CC(C2N3C(CCCCC3)=NN=2)=CC=C1
Synonyms	3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol, 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenol, 923256-33-1, AC1Q78IY, CTK8A0074, ZINC12505077, AKOS005203124, MCULE-8885405950, NE13863, EN300-25486, Z55729792, 3-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenol, AldrichCPR,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.122g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.283g/mol
Monoisotopic Mass	229.122g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited