AG000N0T

1250443-89-0 | Methyl 5-bromo-2-cyclopropylpyrimidine-4-carboxylate

AG000N0T

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CAS Number	1250443-89-0
Catalog Number	AG000N0T(AGN-PC-0WNOKQ)
Chemical Name	Methyl 5-bromo-2-cyclopropylpyrimidine-4-carboxylate
IUPAC Name	methyl 5-bromo-2-cyclopropylpyrimidine-4-carboxylate
InChI	InChI=1S/C9H9BrN2O2/c1-14-9(13)7-6(10)4-11-8(12-7)5-2-3-5/h4-5H,2-3H2,1H3
InChI Key	UNTJFTYLMTYCGQ-UHFFFAOYSA-N
MDL Number	MFCD16987750
Molecular Formula	C9H9BrN2O2
Molecular Weight	257.0840
SMILES	BrC=1C(=NC(=NC1)C1CC1)C(=O)OC
Synonyms	METHYL 5-BROMO-2-CYCLOPROPYLPYRIMIDINE-4-CARBOXYLATE, 1250443-89-0, SCHEMBL19813816, DTXSID20857179, MFCD16987750, ZINC91691027, AKOS026726968, NE16142, AS-36235, 4-Pyrimidinecarboxylic acid, 5-bromo-2-cyclopropyl-, methyl ester,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.985g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.087g/mol
Monoisotopic Mass	255.985g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H320-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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