AG003RXA

78686-79-0 | Methyl 5-bromo-2-chloronicotinate

AG003RXA

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CAS Number	78686-79-0
Catalog Number	AG003RXA(AGN-PC-0KKPGJ)
Chemical Name	Methyl 5-bromo-2-chloronicotinate
IUPAC Name	methyl 5-bromo-2-chloropyridine-3-carboxylate
InChI	InChI=1S/C7H5BrClNO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3
InChI Key	MOMQDEDQGJAKII-UHFFFAOYSA-N
MDL Number	MFCD03844848
Molecular Formula	C7H5BrClNO2
Molecular Weight	250.4771
SMILES	C1=C(C=NC(=C1C(OC)=O)Cl)Br
Synonyms	methyl 5-bromo-2-chloronicotinate, 78686-79-0, methyl 5-bromo-2-chloropyridine-3-carboxylate, METHYL5-BROMO-2-CHLORONICOTINATE, 5-Bromo-2-chloronicotinic acid methyl ester, 5-BROMO-2-CHLORO-NICOTINIC ACID METHYL ESTER, MFCD03844848, METHYL 5-BROMO-2-CHLORO-3-PYRIDINECARBOXYLATE, methyl 5-bromo-2-chloro-pyridine-3-carboxylate, 3-PYRIDINECARBOXYLIC ACID, 5-BROMO-2-CHLORO-, METHYL ESTER, PubChem12966, ACMC-209pf0, AC1MC85S, AC1Q42ZE, KSC494E4B, SCHEMBL733159, CTK3J4240, KS-00000BHN, DTXSID50376904, methyl-5-bromo-2-chloronicotinate, MOMQDEDQGJAKII-UHFFFAOYSA-N, ZINC166383, ABBYPHARMA AP-12-5691, ACN-S004208, ACT02446, CS-D1791, ANW-37210, BBL011233, CL0222, CM-748, SBB053831, STK935933, AKOS005069304, AC-3566, MCULE-2897871384, PB26106, QC-8271, RP06124, RTR-025137, TRA0064064, AJ-16497, AK-23916, AN-12836, BC003707, BC679663, BR-23916, CJ-02312, SY007501, ZB008627, AB0002377, DB-007689, TL8006940, TR-025137, 4CH-011456, A9876, AM20070203, FT-0081417, FT-0648898, M2513, ST24025408, V0691, B-5269, Methyl 5-bromo-2-chloronicotinate, AldrichCPR, MFCD03844848 (97+%), 686M790, 10W-0710, I02-0476, J-522444, 5-BROMO-2-CHLORO-3-(METHOXYCARBONYL)PYRIDINE, Methyl 5-bromo-2-chloropyridine-3-carboxylate, 97%, 5-Bromo-2-chloro-3-pyridinecarboxylic Acid Methyl Ester, C7H5BrClNO2, ZINC00166383, ACN-040580, CID2763343,

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
Packing Group
Precautionary statements	P264-P270-P301+P312a-P330-P501a
UN Code

Certificate of Analysis

Lot Number