AG00940B

1207954-85-5 | Ethyl 2-broMopyriMidine-4-carboxylate

AG00940B

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CAS Number	1207954-85-5
Catalog Number	AG00940B(AGN-PC-0WANAG)
Chemical Name	Ethyl 2-broMopyriMidine-4-carboxylate
IUPAC Name	ethyl 2-bromopyrimidine-4-carboxylate
InChI	InChI=1S/C7H7BrN2O2/c1-2-12-6(11)5-3-4-9-7(8)10-5/h3-4H,2H2,1H3
InChI Key	KIHGFOZQRZTADP-UHFFFAOYSA-N
MDL Number	MFCD27923790
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	O=C(C1=NC(Br)=NC=C1)OCC
Synonyms	Ethyl 2-bromopyrimidine-4-carboxylate, 1207954-85-5, AK145987, SCHEMBL8883554, MFCD27923790, ZINC95930683, AKOS022178438, DS-8433, FCH2496843, SC-91367, AJ-136528, AX8268048, ST2406890, 4CH-017610,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.969g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.049g/mol
Monoisotopic Mass	229.969g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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