AG008PEY

746668-73-5 | 4-Bromo-1-methoxyisoquinoline

AG008PEY

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CAS Number	746668-73-5
Catalog Number	AG008PEY(AGN-PC-04QX7J)
Chemical Name	4-Bromo-1-methoxyisoquinoline
IUPAC Name	4-bromo-1-methoxyisoquinoline
InChI	InChI=1S/C10H8BrNO/c1-13-10-8-5-3-2-4-7(8)9(11)6-12-10/h2-6H,1H3
InChI Key	BQMVHRXGXCDQEW-UHFFFAOYSA-N
MDL Number	MFCD09999134
Molecular Formula	C10H8BrNO
Molecular Weight	238.0806
SMILES	BrC1=CN=C(C2=CC=CC=C12)OC
Synonyms	4-Bromo-1-methoxyisoquinoline, 746668-73-5, 4-BROMO-1-METHOXY-ISOQUINOLINE, Isoquinoline, 4-bromo-1-methoxy-, 1-Methoxy-4-bromoisoquinoline, SCHEMBL1239659, CTK8B5930, DTXSID70647224, BQMVHRXGXCDQEW-UHFFFAOYSA-N, KS-00000HF6, ANW-51225, MFCD09999134, ZINC40448444, AKOS015835848, CS-W020680, DS-0346, AK-24358, BR-24358, CJ-20147, AB0026536, AJ-102731, DB-074862, ST2411135, TR-024119, 4CH-007991, AM20061482, FT-0649511, W8225, S-6750, Z1741974257, C10H8BrNO,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.979g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.084g/mol
Monoisotopic Mass	236.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number