AG00IKAE

99455-05-7 | Quinoline, 6-bromo-2-methoxy-

AG00IKAE

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CAS Number	99455-05-7
Catalog Number	AG00IKAE(AGN-PC-0N8BQ4)
Chemical Name	Quinoline, 6-bromo-2-methoxy-
IUPAC Name	6-bromo-2-methoxyquinoline
InChI	InChI=1S/C10H8BrNO/c1-13-10-5-2-7-6-8(11)3-4-9(7)12-10/h2-6H,1H3
InChI Key	KBTKKEMYFUMFSJ-UHFFFAOYSA-N
MDL Number	MFCD11847805
Molecular Formula	C10H8BrNO
Molecular Weight	238.0806
SMILES	COC1=NC2=CC=C(Br)C=C2C=C1
Synonyms	6-Bromo-2-methoxyquinoline, 99455-05-7, 2-methoxy-6-bromoquinoline, 6-bromo-2-methoxy-quinoline, QUINOLINE, 6-BROMO-2-METHOXY-, MFCD11847805, SCHEMBL727654, 6-bromanyl-2-methoxy-quinoline, CTK3I5646, DTXSID40443139, KBTKKEMYFUMFSJ-UHFFFAOYSA-N, ZX-AT003505, ANW-60850, ZINC39151013, AKOS015904661, CB-3494, FCH1327346, MB10111, OR17559, PS-7625, RP05773, AJ-98786, BL002346, SC-29650, AB0038329, AX8158644, TC-149595, CS-0035482, FT-0759201, Y5689, A846027, J-518333, I14-17166, Bedaquiline, C10H8BrNO, CID10657538, 6-bromo-2-methoxyquinoline, 95% - 1G 1g, BQ1,

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	3.2

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