AG0030C1

304902-95-2 | 4-Pyrimidinecarboxylic acid, 5-bromo-2-cyclopropyl-

AG0030C1

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CAS Number	304902-95-2
Catalog Number	AG0030C1(AGN-PC-0WNRXW)
Chemical Name	4-Pyrimidinecarboxylic acid, 5-bromo-2-cyclopropyl-
IUPAC Name	5-bromo-2-cyclopropylpyrimidine-4-carboxylic acid
InChI	InChI=1S/C8H7BrN2O2/c9-5-3-10-7(4-1-2-4)11-6(5)8(12)13/h3-4H,1-2H2,(H,12,13)
InChI Key	OZBCWWVNZKSSDG-UHFFFAOYSA-N
MDL Number	MFCD11870587
Molecular Formula	C8H7BrN2O2
Molecular Weight	243.0574
SMILES	O=C(C1=NC(C2CC2)=NC=C1Br)O
Synonyms	5-BROMO-2-CYCLOPROPYLPYRIMIDINE-4-CARBOXYLIC ACID, 304902-95-2, SCHEMBL2293821, AMMD00028, DTXSID30736926, OZBCWWVNZKSSDG-UHFFFAOYSA-N, MFCD11870587, ZINC90225797, AKOS023403161, AM85711, MCULE-5669954531, DS-11382, AB0076372, FT-0725746, X-1474, 4-Pyrimidinecarboxylic acid, 5-bromo-2-cyclopropyl-, A1-01157, Z1769859572, 5-bromo-2-cyclopropyl-4-Pyrimidinecarboxylic acid,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.06g/mol
Monoisotopic Mass	241.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number