AG0002OX

100707-39-9 | 4-Pyrimidinecarboxylic acid, 5-bromo-2-methyl-

AG0002OX

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CAS Number	100707-39-9
Catalog Number	AG0002OX(AGN-PC-0JNTBL)
Chemical Name	4-Pyrimidinecarboxylic acid, 5-bromo-2-methyl-
IUPAC Name	5-bromo-2-methylpyrimidine-4-carboxylic acid
InChI	InChI=1S/C6H5BrN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11)
InChI Key	MDERWSRHRJUWNS-UHFFFAOYSA-N
MDL Number	MFCD00466678
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
NSC Number	82651
SMILES	CC1=NC=C(C(=N1)C(=O)O)Br
Synonyms	100707-39-9, 2-Methyl-5-bromopyrimidine-4-carboxylic acid, 5-Bromo-2-methylpyrimidine-4-carboxylic acid, 5-Bromo-2-methyl-4-pyrimidinecarboxylic acid, 5-bromo-2-methyl-pyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylicacid, 5-bromo-2-methyl-, 4-Pyrimidinecarboxylic acid, 5-bromo-2-methyl-, NSC82651, AC1Q2RIA, ACMC-20a0k7, AC1L5U3R, SCHEMBL630361, CTK0H2356, ZINC81639, DTXSID80292446, MDERWSRHRJUWNS-UHFFFAOYSA-N, BCP12234, ANW-51653, CM-891, MFCD00466678, NSC-82651, RW3275, SBB069047, AKOS002304175, CM10692, CS-W021722, HP21362, MCULE-7063265154, PB33896, QC-2188, RP27030, RTR-000231, AC-25244, AJ-10564, AK-23643, AM807489, AN-34364, BC686534, BR-23643, DS-10497, EN002114, HC210410, SC-22478, 5-bromo-2-methylpyrimidine-4-carboxylicacid, AB0034375, ST2410131, TR-000231, 2-Methyl-5-bromopyrimidine-4-carboxylicacid, 4CH-013892, FT-0648316, M0206, ST50456587, X8520, VU0509021-1, 5-Bromo-2-methyl -4-pyrimidinecarboxylic acid, A19517, B67505, S-5784, 707M399, J-510001, S03-0109, F3096-1886, Z1741977510, C6H5BrN2O2, AR-1G7407, CID256210, N-[(1S,2R)-2-Hydroxy-1,2-diphenylethyl]-glycine ethyl ester, 3-(methylthio)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropan-1-amine dihydrochloride, 6360-73-2,

Complexity	165
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	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number