AG000PIP

1197193-30-8 | 2-Pyrimidinecarboxylic acid, 5-bromo-, ethyl ester

AG000PIP

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CAS Number	1197193-30-8
Catalog Number	AG000PIP(AGN-PC-09MQPM)
Chemical Name	2-Pyrimidinecarboxylic acid, 5-bromo-, ethyl ester
IUPAC Name	ethyl 5-bromopyrimidine-2-carboxylate
InChI	InChI=1S/C7H7BrN2O2/c1-2-12-7(11)6-9-3-5(8)4-10-6/h3-4H,2H2,1H3
InChI Key	CZQFHUXIWZYQGP-UHFFFAOYSA-N
MDL Number	MFCD12964050
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	BrC1=CN=C(N=C1)C(=O)OCC
Synonyms	ETHYL 5-BROMOPYRIMIDINE-2-CARBOXYLATE, 1197193-30-8, Ethyl 5-bromopyrimidine-2-carboxyate, ethyl-5-bromopyrimidine-2-carboxylate, MFCD12964050, 5-bromo-2-Pyrimidinecarboxylic acid ethyl ester, 5-Bromopyrimidine-2-carboxylic acid ethyl ester, SCHEMBL15260359, CTK4B1460, DTXSID70680898, CZQFHUXIWZYQGP-UHFFFAOYSA-N, KS-00000BG3, ANW-50492, EBD209970, Ethyl5-Bromopyrimidine-2-carboxylate, ZINC40448265, AKOS005258575, CS-W003843, QC-5597, RP27936, TRA0014455, AC-30148, AK-28413, BR-28413, CJ-20104, DS-11006, SY006807, AB0035121, AB1000812, AJ-102585, DB-061631, TR-034366, 4CH-008502, FT-0696117, ST24030644, X9396, S-3955, MFCD12964050 (97+%), 2-Pyrimidinecarboxylic acid, 5-bromo-, ethyl ester, I03-0732, J-521117, 7193-30-8, null, C7H7BrN2O2, ACN-051679,

Complexity	158
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	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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