AG0025VP

178264-57-8 | 3-Pyridinecarboxylic acid, 6-(bromomethyl)-, ethyl ester

AG0025VP

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CAS Number	178264-57-8
Catalog Number	AG0025VP(AGN-PC-03MUTD)
Chemical Name	3-Pyridinecarboxylic acid, 6-(bromomethyl)-, ethyl ester
IUPAC Name	ethyl 6-(bromomethyl)pyridine-3-carboxylate
InChI	InChI=1S/C9H10BrNO2/c1-2-13-9(12)7-3-4-8(5-10)11-6-7/h3-4,6H,2,5H2,1H3
InChI Key	LPVLWROJDKJMST-UHFFFAOYSA-N
MDL Number	MFCD10566281
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	O=C(OCC)C1=CN=C(CBr)C=C1
Synonyms	178264-57-8, ETHYL 6-(BROMOMETHYL)NICOTINATE, ETHYL 6-(BROMOMETHYL)PYRIDINE-3-CARBOXYLATE, 6-Bromomethyl-nicotinic acid ethyl ester, Ethyl-6-(bromomethyl)pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 6-(bromomethyl)-, ethyl ester, AK-39612, SCHEMBL1287501, CTK0A6928, DTXSID20623917, LPVLWROJDKJMST-UHFFFAOYSA-N, KS-00000II6, ANW-50049, MFCD10566281, SBB099791, ZINC44154632, AKOS015838697, BR-39612, DS-13849, SC-13236, AB0002533, AJ-109461, AX8169906, TR-071880, 4CH-009330, FT-0732660, ST24030659, W3888, EN300-250953, S-5467, C9H10BrNO2,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.088g/mol
Monoisotopic Mass	242.989g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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