AG004FLD

877624-38-9 | Methyl 5-(bromomethyl)nicotinate

AG004FLD

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CAS Number	877624-38-9
Catalog Number	AG004FLD(AGN-PC-0031GS)
Chemical Name	Methyl 5-(bromomethyl)nicotinate
IUPAC Name	methyl 5-(bromomethyl)pyridine-3-carboxylate
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,3H2,1H3
InChI Key	AEZXIAKNBQNDPO-UHFFFAOYSA-N
MDL Number	MFCD10566278
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	COC(=O)C1=CC(CBr)=CN=C1
Synonyms	METHYL 5-(BROMOMETHYL)NICOTINATE, 877624-38-9, METHYL 5-(BROMOMETHYL)PYRIDINE-3-CARBOXYLATE, AK-64761, 3-Pyridinecarboxylic acid, 5-(bromomethyl)-, methyl ester, MFCD10566278, SCHEMBL3938261, CTK3C1932, KS-00000OVE, DTXSID40565663, AEZXIAKNBQNDPO-UHFFFAOYSA-N, CS-D1642, ANW-74291, RW3811, ZINC49581957, AKOS015836039, FCH1400437, QC-3332, RP05516, 5-Bromomethylnicotinic acid methyl ester, DS-15627, SC-13234, AJ-111077, AX8215172, DB-077097, ST2407268, TR-038130, 4CH-016818, BB 0260873, FT-0682270, Y4447, J-522409, I14-14497, C8H8BrNO2, Methyl5-(bromomethyl)nicotinate, CB11445,

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	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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