AG00975S

1210451-92-5 | Methyl 6-bromo-5-methylnicotinate

AG00975S

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CAS Number	1210451-92-5
Catalog Number	AG00975S(AGN-PC-0WAMYS)
Chemical Name	Methyl 6-bromo-5-methylnicotinate
IUPAC Name	methyl 6-bromo-5-methylpyridine-3-carboxylate
InChI	InChI=1S/C8H8BrNO2/c1-5-3-6(8(11)12-2)4-10-7(5)9/h3-4H,1-2H3
InChI Key	PZHHVEKWOYHXMK-UHFFFAOYSA-N
MDL Number	MFCD18258594
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=C(OC)C1=CN=C(Br)C(C)=C1
Synonyms	Methyl 6-bromo-5-methylnicotinate, 1210451-92-5, methyl 6-bromo-5-methylpyridine-3-carboxylate, SCHEMBL487571, DTXSID10671907, MFCD18258594, ZINC40448306, AKOS022174649, CS-W007224, KS-00000R89, AK-29742, DS-11272, AJ-102621,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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