AG000R7G

1260773-60-1 | 2-Pyrazinecarboxylic acid, 3-bromo-6-chloro-

AG000R7G

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CAS Number	1260773-60-1
Catalog Number	AG000R7G(AGN-PC-0JF42W)
Chemical Name	2-Pyrazinecarboxylic acid, 3-bromo-6-chloro-
IUPAC Name	3-bromo-6-chloropyrazine-2-carboxylic acid
InChI	InChI=1S/C5H2BrClN2O2/c6-4-3(5(10)11)9-2(7)1-8-4/h1H,(H,10,11)
InChI Key	AFCNZNOFVBISIG-UHFFFAOYSA-N
MDL Number	MFCD13193673
Molecular Formula	C5H2BrClN2O2
Molecular Weight	237.4386
SMILES	O=C(C1=NC(Cl)=CN=C1Br)O
Synonyms	3-Bromo-6-chloropyrazine-2-carboxylic acid, 1260773-60-1, DTXSID50855926, MFCD13193673, ZINC90225761, AKOS016011799, MCULE-8670877794, MP-0889, KS-000007V7, AK-31823, DS-11543, AB0057274, AJ-128549, ST2417573, 4CH-012271, Z4046, 2-Pyrazinecarboxylic acid, 3-bromo-6-chloro-, Z1741982283, C5H2BrClN2O2,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.899g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237.437g/mol
Monoisotopic Mass	235.899g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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