AG000ZHT

1316122-22-1 | 4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-methylethyl)-, methyl ester

AG000ZHT

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CAS Number	1316122-22-1
Catalog Number	AG000ZHT(AGN-PC-0HD04N)
Chemical Name	4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-methylethyl)-, methyl ester
IUPAC Name	methyl 5-bromo-2-propan-2-ylpyrimidine-4-carboxylate
InChI	InChI=1S/C9H11BrN2O2/c1-5(2)8-11-4-6(10)7(12-8)9(13)14-3/h4-5H,1-3H3
InChI Key	AOJUZBBXYNRCNT-UHFFFAOYSA-N
MDL Number	MFCD21607117
Molecular Formula	C9H11BrN2O2
Molecular Weight	259.0998
SMILES	O=C(C1=NC(C(C)C)=NC=C1Br)OC
Synonyms	METHYL 5-BROMO-2-ISOPROPYLPYRIMIDINE-4-CARBOXYLATE, 1316122-22-1, 4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-methylethyl)-, methyl ester, SCHEMBL2159888, AOJUZBBXYNRCNT-UHFFFAOYSA-N, ZINC91690778, AKOS024259922, AS-36184, AJ-131868, 5-Bromo-2-isopropyl-pyrimidine-4-carboxylic acid methyl ester,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.103g/mol
Monoisotopic Mass	258g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

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