AG00I4F6

223915-77-3 | 8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine HCl

AG00I4F6

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CAS Number	223915-77-3
Catalog Number	AG00I4F6(AGN-PC-0WACAT)
Chemical Name	8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine HCl
IUPAC Name	8-bromo-2,3,4,5-tetrahydro-1H-2-benzazepine
InChI	InChI=1S/C10H12BrN/c11-10-4-3-8-2-1-5-12-7-9(8)6-10/h3-4,6,12H,1-2,5,7H2
InChI Key	QDGYYHVMHIRDNT-UHFFFAOYSA-N
MDL Number	MFCD27665202
Molecular Formula	C10H12BrN
Molecular Weight	226.1130
SMILES	BrC1=CC=C2C(CNCCC2)=C1
Synonyms	8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine, 223915-77-3, CHEMBL144331, AK128395, SCHEMBL1849383, BDBM50217384, MFCD27665202, ZINC27549819, AKOS022185295, DS-5857, FCH2491816, AJ-83329, 8-BROMO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE HCL,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.117g/mol
Monoisotopic Mass	225.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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