AG00EDA7

651310-24-6 | 5-Bromo-4-methylisoquinoline

AG00EDA7

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CAS Number	651310-24-6
Catalog Number	AG00EDA7(AGN-PC-03IKY2)
Chemical Name	5-Bromo-4-methylisoquinoline
IUPAC Name	5-bromo-4-methylisoquinoline
InChI	InChI=1S/C10H8BrN/c1-7-5-12-6-8-3-2-4-9(11)10(7)8/h2-6H,1H3
InChI Key	TYIXPGHNBIZJTL-UHFFFAOYSA-N
MDL Number	MFCD12922846
Molecular Formula	C10H8BrN
Molecular Weight	222.0812
SMILES	CC1=CN=CC2=C1C(Br)=CC=C2
Synonyms	5-Bromo-4-methylisoquinoline, 651310-24-6, AK-77540, SCHEMBL5663599, CTK8B5461, KS-00000IDR, DTXSID40621091, TYIXPGHNBIZJTL-UHFFFAOYSA-N, ZX-AT004554, ANW-48820, MFCD12922846, ZINC44832015, AKOS015842634, CB-3489, FCH1327427, MCULE-7886794586, OR17552, PS-7838, RP05226, RTC-068298, 5-Bromo-4-methylisoquinoline, AldrichCPR, BR-77540, AB0026061, AJ-110213, AX8168005, TC-068298, BB 0262101, CS-0006077, FT-0685918, ST24029402, W7648, C-2445, J-517097, C10H8BrN, 5-bromo-4-methylisoquinoline, 95% - 1G 1g,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.984g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.085g/mol
Monoisotopic Mass	220.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number