AG0014VG

1214346-11-8 | 4-Pyridinecarboxylic acid, 5-bromo-2-chloro-, ethyl ester

AG0014VG

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CAS Number	1214346-11-8
Catalog Number	AG0014VG(AGN-PC-07QVFI)
Chemical Name	4-Pyridinecarboxylic acid, 5-bromo-2-chloro-, ethyl ester
IUPAC Name	ethyl 5-bromo-2-chloropyridine-4-carboxylate
InChI	InChI=1S/C8H7BrClNO2/c1-2-13-8(12)5-3-7(10)11-4-6(5)9/h3-4H,2H2,1H3
InChI Key	YVGLNIDGZXOBSZ-UHFFFAOYSA-N
MDL Number	MFCD14698168
Molecular Formula	C8H7BrClNO2
Molecular Weight	264.5037
SMILES	O=C(OCC)C1=C(Br)C=NC(Cl)=C1
Synonyms	ethyl 5-bromo-2-chloroisonicotinate, 1214346-11-8, ethyl 5-bromo-2-chloropyridine-4-carboxylate, ethylbromochloroisonicotinate, SCHEMBL15770624, CTK6F5922, DTXSID40673252, YVGLNIDGZXOBSZ-UHFFFAOYSA-N, BCP22800, KS-00001Q3P, 3850AA, ANW-44212, MFCD14698168, ZINC47202642, AKOS015835844, BCP9000666, FE-0247, MCULE-4030808710, RP14882, AK-88820, QC-10503, AB0055901, AJ-110672, ST2406972, TR-071377, FT-0689768, 5-bromo-2-chloroisonicotinic acid ethyl ester, Ethyl 2-chloro-5-bromopyridine-4-carboxylate, C-6421, J-400947, C8H7BrClNO2, Ethyl5-bromo-2-chloroisonicotinate,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.935g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.503g/mol
Monoisotopic Mass	262.935g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

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