AG0008KM

1134327-93-7 | 2-Pyrimidineacetic acid, 5-bromo-

AG0008KM

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CAS Number	1134327-93-7
Catalog Number	AG0008KM(AGN-PC-07HB0S)
Chemical Name	2-Pyrimidineacetic acid, 5-bromo-
IUPAC Name	2-(5-bromopyrimidin-2-yl)acetic acid
InChI	InChI=1S/C6H5BrN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11)
InChI Key	VQTSLZVLSPVCJG-UHFFFAOYSA-N
MDL Number	MFCD09909705
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	BrC1=CN=C(N=C1)CC(=O)O
Synonyms	1134327-93-7, 2-(5-BROMOPYRIMIDIN-2-YL)ACETIC ACID, (5-Bromopyrimidin-2-yl)acetic acid, 2-Pyrimidineaceticacid, 5-bromo-, (5-Bromo-pyrimidin-2-yl)-acetic acid, 2-PYRIMIDINEACETIC ACID, 5-BROMO-, ACMC-2099jq, SCHEMBL18860995, CTK0G9214, DTXSID80672087, KS-000024JG, ANW-16644, MFCD09909705, ZINC40448658, AKOS015834666, DS-0329, PB16211, RP27036, SB20940, 5-BROMOPYRIMIDINE-2-ACETIC ACID, AK-24272, BR-24272, SC-30044, SC-37749, AB0034833, AJ-102901, ST1140954, TR-002600, 4CH-007860, CS-0018844, FT-0645604, X9054, A-3392, I03-751, J-501557, C6H5BrN2O2, 2-(5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)ACETIC ACID, 944905-59-3,

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	1
Isotope Atom Count	0
Molecular Weight	217.022g/mol
Monoisotopic Mass	215.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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