AG00CIRF

36070-83-4 | Ethyl 5-bromo-2-pyrazinecarboxylate

AG00CIRF

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CAS Number	36070-83-4
Catalog Number	AG00CIRF(AGN-PC-02T6XQ)
Chemical Name	Ethyl 5-bromo-2-pyrazinecarboxylate
IUPAC Name	ethyl 5-bromopyrazine-2-carboxylate
InChI	InChI=1S/C7H7BrN2O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3
InChI Key	YMWDNHSAHXMMHH-UHFFFAOYSA-N
MDL Number	MFCD11044905
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	CCOC(=O)C1=NC=C(Br)N=C1
Synonyms	Ethyl 5-bromo-2-pyrazinecarboxylate, 36070-83-4, ethyl 5-bromopyrazine-2-carboxylate, AK-24838, SCHEMBL8883054, CTK8B5845, DTXSID90601500, ANW-50493, MFCD11044905, ZINC71787954, AKOS015835002, FCH1401902, ACM36070834, BR-24838, DS-10513, AB0024475, AJ-118532, AX8157722, ST2413027, TR-014840, 4CH-007812, FT-0647081, W5756, S-6758, C7H7BrN2O2, N/A,

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	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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