AG00G50Q

78686-80-3 | 6-BroMo-5-chloro-nicotinic acid Methyl ester

AG00G50Q

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CAS Number	78686-80-3
Catalog Number	AG00G50Q(AGN-PC-0NJUYS)
Chemical Name	6-BroMo-5-chloro-nicotinic acid Methyl ester
IUPAC Name	methyl 6-bromo-5-chloropyridine-3-carboxylate
InChI	InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-5(9)6(8)10-3-4/h2-3H,1H3
InChI Key	DVLLXKWMRGGKTL-UHFFFAOYSA-N
MDL Number	MFCD14698098
Molecular Formula	C7H5BrClNO2
Molecular Weight	250.4771
SMILES	O=C(OC)C1=CN=C(Br)C(Cl)=C1
Synonyms	78686-80-3, Methyl 6-bromo-5-chloronicotinate, Methyl 6-bromo-5-chloropyridine-3-carboxylate, KS-00002ADV, DTXSID60506558, 2321AC, MFCD14698098, ZINC47202486, AKOS016012250, PS-5250, SC-62073, AJ-110647, 2-Bromo-3-chloro-5-(methoxycarbonyl)pyridine, Methyl 2-bromo-3-chloro-5-pyridinecarboxylate, C-0273, 3-PYRIDINECARBOXYLIC ACID,6-BROMO-5-CHLORO- METHYL, C7H5BrClNO2, Methyl6-bromo-5-chloronicotinate, ACN-056369, 6-Bromo-5-chloro-nicotinicacid methyl ester, methyl 6-bromo-5-chloropyridine-3-carboxylate, 95% - 1G 1g,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.919g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.476g/mol
Monoisotopic Mass	248.919g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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