AG0010JW

132334-98-6 | 3-Pyridinecarboxylic acid, 6-bromo-, ethyl ester

AG0010JW

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CAS Number	132334-98-6
Catalog Number	AG0010JW(AGN-PC-002JID)
Chemical Name	3-Pyridinecarboxylic acid, 6-bromo-, ethyl ester
IUPAC Name	ethyl 6-bromopyridine-3-carboxylate
InChI	InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
InChI Key	NTOOSJSHTQNLKP-UHFFFAOYSA-N
MDL Number	MFCD11111853
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	C(C)OC(C1=CN=C(C=C1)Br)=O
Synonyms	Ethyl 6-bromonicotinate, 132334-98-6, 6-BROMONICOTINIC ACID ETHYL ESTER, ethyl 6-bromopyridine-3-carboxylate, 6-Bromopyridine-3-carboxylic acid ethyl ester, ETHYL 2-BROMO-5-PYRIDINECARBOXYLATE, 3-Pyridinecarboxylic acid, 6-bromo-, ethyl ester, 6-Bromo Nicotinic Acid Ethyl Ester, SCHEMBL2768265, CTK8B5696, KS-00000HMT, DTXSID10563974, NTOOSJSHTQNLKP-UHFFFAOYSA-N, 6-Bromo-nicotinic acid ethyl ester, BCP11564, ANW-49689, MFCD11111853, ZINC34364331, AKOS009456289, CS-W022712, QC-9786, RP27875, AJ-88175, AK-25676, AS-19525, BR-25676, CJ-18323, AB0035480, DB-062891, TC-138434, 4CH-008418, FT-0649659, ST24030669, X9828, Z9644, 2-bromopyridine-5-carboxylic acid ethyl ester, I01-9905, J-400944, Ethyl6-bromonicotinate, C8H8BrNO2, S-3304,

Complexity	163
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	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

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