AG003ABN

1209459-80-2 | Methyl 6-bromopyrimidine-4-carboxylate

AG003ABN

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CAS Number	1209459-80-2
Catalog Number	AG003ABN(AGN-PC-0JK0IE)
Chemical Name	Methyl 6-bromopyrimidine-4-carboxylate
IUPAC Name	methyl 6-bromopyrimidine-4-carboxylate
InChI	InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-5(7)9-3-8-4/h2-3H,1H3
InChI Key	GRYDXAABEUOKNI-UHFFFAOYSA-N
MDL Number	MFCD14702823
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	O=C(C1=NC=NC(Br)=C1)OC
Synonyms	methyl 6-bromopyrimidine-4-carboxylate, 1209459-80-2, SCHEMBL17381983, KS-00000SBW, DTXSID30857084, MFCD14702823, ZINC95709475, CS-W007184, DS-7267, MB14353, Methyl-6-bromopyrimidine-4-carboxylate, QC-5584, AK152485, AJ-133695, ST24048037,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.953g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.022g/mol
Monoisotopic Mass	215.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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