AG005X83

75450-34-9 | 7-Chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one

AG005X83

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CAS Number	75450-34-9
Catalog Number	AG005X83(AGN-PC-0JK6BH)
Chemical Name	7-Chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one
IUPAC Name	7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one
InChI	InChI=1S/C15H11Cl2NOS/c16-9-5-6-13-11(7-9)15(20-8-14(19)18-13)10-3-1-2-4-12(10)17/h1-7,15H,8H2,(H,18,19)
InChI Key	KQEPIRKXSUIUTH-UHFFFAOYSA-N
MDL Number	MFCD09055422
Molecular Formula	C15H11Cl2NOS
Molecular Weight	324.2249
SMILES	O=C1NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3Cl)SC1
Synonyms	CGP 37157, CGP-37157, CGP 37157, 75450-34-9, 7-Chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one, CGP-37157, CGP37157, CHEMBL1495071, BSPBio_001556, 7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one, AC1Q3JZG, AC1L1E8N, AC1Q3PE7, KBioGR_000276, KBioSS_000276, SCHEMBL869274, CHEBI:91650, CTK2H9014, KBio2_000276, KBio2_002844, KBio2_005412, KBio3_000551, KBio3_000552, Bio1_000408, Bio1_000897, Bio1_001386, Bio2_000276, Bio2_000756, HMS1361N18, HMS1791N18, HMS1989N18, HMS3267K16, HMS3402N18, HMS3676I15, BDBM50139422, BN0133, HSCI1_000330, AKOS024456390, IDI1_034026, NCGC00025008-02, NCGC00025008-03, CC-23140, HY-15754, DB-055958, CS-0008572, FT-0641565, CGP-37157, >=98% (HPLC), powder, C-35564, SR-01000597388, SR-01000597388-1, BRD-A35623999-001-02-4, BRD-A35623999-001-03-2, BRD-A35623999-001-04-0, 4,1-Benzothiazepin-2(3H)-one, 7-chloro-5-(2-chlorophenyl)-1,5-dihydro-, 7-Chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2 (3H)-one, 7-Chloro-5-(2-chlorophenyl)-3,5-dihydrobenzo[e][1,4]thiazepin-2(1H)-one, C15H11Cl2NOS, CID2688, KQEPIRKXSUIUTH-UHFFFAOYSA-N, C15-H11-Cl2-N-O-S, AR-1H3351, CM-119, 79300-13-3,

Complexity	368
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.994g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	324.219g/mol
Monoisotopic Mass	322.994g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H400
Packing Group	Ⅲ
Precautionary statements	P273
Signal Words	danger
UN Code	UN 3077

Certificate of Analysis

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