AG00EAOO

57756-37-3 | 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

AG00EAOO

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CAS Number	57756-37-3
Catalog Number	AG00EAOO(AGN-PC-03GOAS)
Chemical Name	7-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
IUPAC Name	7-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
InChI	InChI=1S/C9H11ClN2/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6H2
InChI Key	UZKODBURRKASTJ-UHFFFAOYSA-N
MDL Number	MFCD07369930
Molecular Formula	C9H11ClN2
Molecular Weight	182.6500
SMILES	ClC1=CC2=C(NCCNC2)C=C1
Synonyms	7-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine, 57756-37-3, 7-Chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine, Q-102430, SCHEMBL3136478, CTK1G8135, DTXSID40618820, UZKODBURRKASTJ-UHFFFAOYSA-N, 8524AB, ANW-70723, FCH855301, MFCD07369930, ZINC12649247, AKOS006287258, CC-1179, AJ-62844, AS-37263, AB0075706, AX8034150, DB-012606, TC-061263, FT-0692942, X-3091, S14-2754, C9H11ClN2, A8222,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.651g/mol
Monoisotopic Mass	182.061g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	24.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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