AG003J18

86499-96-9 | 3-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one

AG003J18

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CAS Number	86499-96-9
Catalog Number	AG003J18(AGN-PC-0KKLL1)
Chemical Name	3-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
IUPAC Name	3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI	InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)
InChI Key	JMXPGCGROVEPID-UHFFFAOYSA-N
MDL Number	MFCD03085918
Molecular Formula	C10H10BrNO
Molecular Weight	240.0965
SMILES	O=C1C(Br)CCC2=CC=CC=C2N1
Synonyms	86499-96-9, 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 3-bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one, 3-Bromo-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one, a-bromobenzocaprolactam, 3-Bromo-2,3,4,5-tetrahydro-2-OXO-1H-1-benzazepine, alpha-bromobenzo-caprolactam, 3-bromo-2,3,4,5-trtrahydro-2h-1-benzazepine-2-one, 2h-1-benzazepin-2-one, 3-bromo-1,3,4,5-tetrahydro-, 3-bromo-1,3,4,5-tetrahydro-2h-1-benzazepine-2-one, 3-bromo-1,3,4,5-tetrahydro-2h-benzazepin-2-one, 3-bromo-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one, 3-bromo-2,3,4,5-tetrahydro-2h-1-benzazepin-2-one, 3-bromobenzocaprolactam, PubChem22344, AC1MBVA4, ACMC-209q9z, KSC876E0F, SCHEMBL2214341, CTK7H6202, ALPHA-BROMOBENZOCAPROLACTAM, DTXSID40373760, JMXPGCGROVEPID-UHFFFAOYSA-N, 3-BROMO-2,3,4,5-TETRAHYDRO-2H-1-BENZAZEPINE-2-ONE, ALBB-029081, KS-00000C8I, ANW-38325, BBL010024, CB-262, CB0096, MFCD03085918, SBB099210, STK711122, AKOS005530697, AC-6870, AN-9597, MCULE-3775973631, RP28415, RTC-010250, VZ26391, TRA-0192750, AK-23679, AS-10875, BC004783, BR-23679, EN000689, SC-16717, SY020870, AB0008374, DB-022302, TC-010250, B3393, CS-0004294, FT-0642044, ST24032596, ST51042090, 3-bromo-1H,3H,4H,5H-benzo[f]azepin-2-one, B66109, M-1720, Z-8065, MFCD03085918 (97+%), 3-bromo-1,3,4,5-tetrahdro-2h-benzazepin-2-one, 3-bromo-1,3,4,5-tetrahydrobenzo[b]azepin-2-one, 499B969, A841687, AN-668/40768842, 3-bromanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one, 3-Bromo-4,5-dihydro-1H-1-benzoazepine-2(3H)-one, I14-0595, J-511785, 3-bromo-1,3,4,5-tertrahydro-2h-1-benzazepin-2-one, 3-bromo-1,3,4,5-tetrahydro-2h-1-benzaepine-2-one, 3-bromo-1,3,4,5-tetrahydro-2h-l-benzazepin-2-one, 3-bromo-1H,3H,4H,5H-benzo[f]azaperhydroepin-2-one, 3-bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one, 3-Bromo-2,3,4,5-tetrahydro-1H-[1]-benzazepin-2-one, C10H10BrNO, ZINC03883040, CID2757184, 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one, 98% 10g,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.995g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.1g/mol
Monoisotopic Mass	238.995g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number