AG00ELH2

56987-35-0 | 3,3-DIBROMO-4,5,6,7-TETRAHYDRO-1H-AZEPIN-2(3H)-ONE

AG00ELH2

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CAS Number	56987-35-0
Catalog Number	AG00ELH2(AGN-PC-0JP6PQ)
Chemical Name	3,3-DIBROMO-4,5,6,7-TETRAHYDRO-1H-AZEPIN-2(3H)-ONE
IUPAC Name	3,3-dibromoazepan-2-one
InChI	InChI=1S/C6H9Br2NO/c7-6(8)3-1-2-4-9-5(6)10/h1-4H2,(H,9,10)
InChI Key	KJIRIIANVAJNNI-UHFFFAOYSA-N
MDL Number	MFCD00154706
Molecular Formula	C6H9Br2NO
Molecular Weight	270.9498
NSC Number	137662
SMILES	O=C1NCCCCC1(Br)Br
Synonyms	3,3-Dibromo-azepan-2-one, 3,3-dibromoazepan-2-one, 56987-35-0, 3,3-dibromoperhydroazepin-2-one, 3,3-Dibromo-2-oxoperhydroazepine, KJIRIIANVAJNNI-UHFFFAOYSA-N, 3, 3-Dibromo-2-oxoperhydroazepine, 3,3-DIBROMO-4,5,6,7-TETRAHYDRO-1H-AZEPIN-2(3H)-ONE, NSC137662, 2H-Azepin-2-one, 3,3-dibromohexahydro-, C6H9Br2NO, 3,3-Dibromo-2-azepanone, AC1L5Y9L, AC1Q24ER, 3,3-Dibromo-2-azepanone #, SCHEMBL9320311, 3,3-dibromoazacycloheptan-2-one, CTK1H2731, DTXSID70300584, 3,3-Dibromohexahydro-2-azepinone, BCP25502, KS-00001B4H, ZINC1723216, 5821AE, MFCD00154706, 2H-Azepin-2-one,3-dibromohexahydro-, AKOS015834979, MCULE-5877950194, NSC-137662, TR-072001, CS-0036593, Z1741973921, 1,3,4-Trimethyluracil, AR-1E8627, CID283271, 1354486-61-5, 5743-31-7,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.903g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	270.952g/mol
Monoisotopic Mass	268.905g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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