AG0003DC

1009826-93-0 | 4-Pyrimidinecarboxylic acid, 5-bromo-, methyl ester

AG0003DC

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CAS Number	1009826-93-0
Catalog Number	AG0003DC(AGN-PC-07HB52)
Chemical Name	4-Pyrimidinecarboxylic acid, 5-bromo-, methyl ester
IUPAC Name	methyl 5-bromopyrimidine-4-carboxylate
InChI	InChI=1S/C6H5BrN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3
InChI Key	XUPQZWPAEGFTMN-UHFFFAOYSA-N
MDL Number	MFCD11111841
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	BrC1=CN=CN=C1C(=O)OC
Synonyms	methyl 5-bromopyrimidine-4-carboxylate, 1009826-93-0, METHYL 5-BROMO-4-PYRIMIDINECARBOXYLATE, SCHEMBL630362, CTK3J9411, KS-00000HNG, DTXSID80672209, XUPQZWPAEGFTMN-UHFFFAOYSA-N, BCP26447, ANW-50369, CM-001, MFCD11111841, ZINC40448867, AKOS015851971, methyl-5-bromopyrimidine-4-carboxylate, CS-W005071, HP23016, RP27033, AK-25053, BP-20578, BR-25053, CJ-20221, DS-10607, QC-11625, AB0034391, AJ-103076, DB-001057, TC-063090, 4CH-008456, AM20070659, FT-0648318, ST24031135, X8539, S-6436, 4-Pyrimidinecarboxylic acid, 5-bromo-, methyl ester, 4-Pyrimidinecarboxylicacid, 5-bromo-, methyl ester, I03-0449, J-522459, C6H5BrN2O2, A15054, 5-bromo-4-Pyrimidinecarboxylic acid methyl ester,

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	1.1

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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