AG00BIN7

270912-79-3 | 2-((5-Bromopyrimidin-2-Yl)Oxy)Acetic Acid

AG00BIN7

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CAS Number	270912-79-3
Catalog Number	AG00BIN7(AGN-PC-03MXLN)
Chemical Name	2-((5-Bromopyrimidin-2-Yl)Oxy)Acetic Acid
IUPAC Name	2-(5-bromopyrimidin-2-yl)oxyacetic acid
InChI	InChI=1S/C6H5BrN2O3/c7-4-1-8-6(9-2-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)
InChI Key	YNKPSWPVUXFTJB-UHFFFAOYSA-N
MDL Number	MFCD09753920
Molecular Formula	C6H5BrN2O3
Molecular Weight	233.0195
SMILES	O=C(O)COC1=NC=C(Br)C=N1
Synonyms	2-((5-Bromopyrimidin-2-yl)oxy)acetic acid, 270912-79-3, 2-(5-bromopyrimidin-2-yl)oxyacetic acid, 2-[(5-Bromo-2-pyrimidinyl)oxy]acetic acid, 2-[(5-bromopyrimidin-2-yl)oxy]acetic acid, SCHEMBL6029086, CTK8H9388, KS-00000OCB, DTXSID70623982, YNKPSWPVUXFTJB-UHFFFAOYSA-N, MFCD09753920, ZINC43214584, AKOS022175210, ACN-052848, CS-W021369, RP28049, [(5-Bromopyrimidin-2-yl)oxy]acetic acid, 2-(5-bromopyrimidin-2-yloxy)acetic acid, AK-25205, DS-10675, AJ-108297, (5-BROMO-PYRIMIDIN-2-YLOXY)-ACETIC ACID, (5-bromo-pyrimidin-2-yloxy)-acetic acid AldrichCPR, J-507602, (5-bromo-pyrimidin-2-yloxy)-acetic acid, AldrichCPR, -ACETICACID,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.948g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.021g/mol
Monoisotopic Mass	231.948g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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

Lot Number