AG00HFYA

1211530-20-9 | Methyl 5-bromo-2-methylpyrimidine-4-carboxylate

AG00HFYA

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CAS Number	1211530-20-9
Catalog Number	AG00HFYA(AGN-PC-0WD64X)
Chemical Name	Methyl 5-bromo-2-methylpyrimidine-4-carboxylate
IUPAC Name	methyl 5-bromo-2-methylpyrimidine-4-carboxylate
InChI	InChI=1S/C7H7BrN2O2/c1-4-9-3-5(8)6(10-4)7(11)12-2/h3H,1-2H3
InChI Key	HWTMDVUGIKBUTQ-UHFFFAOYSA-N
MDL Number	MFCD12923212
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	O=C(C1=NC(C)=NC=C1Br)OC
Synonyms	METHYL 5-BROMO-2-METHYLPYRIMIDINE-4-CARBOXYLATE, 1211530-20-9, 5-Bromo-2-methylpyrimidine-4-carboxylic acid methyl ester, SCHEMBL7452572, DTXSID80660060, HWTMDVUGIKBUTQ-UHFFFAOYSA-N, ZINC40544369, HC210427, AJ-103414, 4-Pyrimidinecarboxylicacid,5-bromo-2-methyl-,methylester, 4-Pyrimidinecarboxylic acid, 5-bromo-2-methyl-, methyl ester,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.969g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.049g/mol
Monoisotopic Mass	229.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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