AG00956W

1209459-66-4 | Methyl 2-bromopyrimidine-5-carboxylate

AG00956W

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CAS Number	1209459-66-4
Catalog Number	AG00956W(AGN-PC-0WAH2O)
Chemical Name	Methyl 2-bromopyrimidine-5-carboxylate
IUPAC Name	methyl 2-bromopyrimidine-5-carboxylate
InChI	InChI=1S/C6H5BrN2O2/c1-11-5(10)4-2-8-6(7)9-3-4/h2-3H,1H3
InChI Key	ARONDYLNDUEGTF-UHFFFAOYSA-N
MDL Number	MFCD14702815
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	O=C(C1=CN=C(Br)N=C1)OC
Synonyms	METHYL 2-BROMOPYRIMIDINE-5-CARBOXYLATE, 1209459-66-4, SCHEMBL18547783, ZINC95709468, AKOS024259293, CM10434, MB14326, AJ-133694, 5-Pyrimidinecarboxylic acid, 2-bromo-, methyl ester,

Complexity	146
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	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

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