AG00D80U

552331-05-2 | 6-Bromo-1,3-dichloroisoquinoline

AG00D80U

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CAS Number	552331-05-2
Catalog Number	AG00D80U(AGN-PC-00UR0S)
Chemical Name	6-Bromo-1,3-dichloroisoquinoline
IUPAC Name	6-bromo-1,3-dichloroisoquinoline
InChI	InChI=1S/C9H4BrCl2N/c10-6-1-2-7-5(3-6)4-8(11)13-9(7)12/h1-4H
InChI Key	YRSSIZNHQQNESH-UHFFFAOYSA-N
MDL Number	MFCD09258639
Molecular Formula	C9H4BrCl2N
Molecular Weight	276.9448
SMILES	ClC1=CC2=C(C(Cl)=N1)C=CC(Br)=C2
Synonyms	6-Bromo-1,3-dichloroisoquinoline, 552331-05-2, ISOQUINOLINE, 6-BROMO-1,3-DICHLORO-, MFCD09258639, PubChem6282, ACMC-1B0BQ, SCHEMBL6849732, CTK5A3256, DTXSID40584910, YRSSIZNHQQNESH-UHFFFAOYSA-N, 6-bromo-1,3-dichloro-isoquinoline, ZX-AT019686, ABBYPHARMA AP-16-10518, ANW-32265, Isoquinoline,6-bromo-1,3-dichloro-, OR8568, ZINC16125165, AKOS015851184, CB-3428, FCH1391826, RP06580, RTC-068180, SB13823, 6-Bromo-1,3-dichloroisoquinoline, 97%, AJ-68409, AN-27851, AS-40843, BC003135, CJ-15375, SC-05285, 6-bromanyl-1,3-bis(chloranyl)isoquinoline, AB0041655, AX8108314, TR-032794, FT-0659459, Y9443, 331B052, A830545, J-518288, 4-Nitrobenzotrifluoride, C9H4BrCl2N, ACN-039065, 6-bromo-1,3-dichloroisoquinoline, 95% - 1G 1g, 402-54-0,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.89g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.942g/mol
Monoisotopic Mass	274.89g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H318-H335-H413
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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