AG00IIMF

948594-80-7 | Methyl 2-(5-bromopyrimidin-2-yl)acetate

AG00IIMF

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CAS Number	948594-80-7
Catalog Number	AG00IIMF(AGN-PC-0WAMSN)
Chemical Name	Methyl 2-(5-bromopyrimidin-2-yl)acetate
IUPAC Name	methyl 2-(5-bromopyrimidin-2-yl)acetate
InChI	InChI=1S/C7H7BrN2O2/c1-12-7(11)2-6-9-3-5(8)4-10-6/h3-4H,2H2,1H3
InChI Key	IGLDVBXMTQIIOO-UHFFFAOYSA-N
MDL Number	MFCD16987768
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	O=C(OC)CC1=NC=C(Br)C=N1
Synonyms	METHYL 2-(5-BROMOPYRIMIDIN-2-YL)ACETATE, 948594-80-7, AK138238, SCHEMBL4203638, DTXSID90649129, KS-000007OK, MFCD16987768, ZINC59099980, AKOS022174070, CS-W022787, DS-5968, FCH1349034, Methyl (5-bromopyrimidin-2-yl)acetate, PB24257, AM805748, Methyl 2-(5-bromopyrimidin-2-yl);acetate, AJ-113265, AX8219049, 5-Bromopyrimidine-2-acetic acid methyl ester, Q-1520, 2-Pyrimidineacetic acid, 5-bromo-, methyl ester, (5-Bromo-pyrimidin-2-yl)-acetic acid methyl ester,

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	0.7

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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