AG00DHZ1

442125-04-4 | 6-chloro-2-benzofuran carboxylic acid

AG00DHZ1

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CAS Number	442125-04-4
Catalog Number	AG00DHZ1(AGN-PC-00NTKC)
Chemical Name	6-chloro-2-benzofuran carboxylic acid
IUPAC Name	6-chloro-1-benzofuran-2-carboxylic acid
InChI	InChI=1S/C9H5ClO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
InChI Key	PWSOSTMTCRJPDX-UHFFFAOYSA-N
MDL Number	MFCD20528041
Molecular Formula	C9H5ClO3
Molecular Weight	196.5872
SMILES	O=C(C1=CC2=CC=C(Cl)C=C2O1)O
Synonyms	6-CHLOROBENZOFURAN-2-CARBOXYLIC ACID, 442125-04-4, 6-Chloro-1-benzofuran-2-carboxylic acid, 2-Benzofurancarboxylic acid, 6-chloro-, SCHEMBL5601015, DTXSID00548316, PWSOSTMTCRJPDX-UHFFFAOYSA-N, KS-00001BT1, MFCD20528041, ZINC34141684, 6-chloro-2-benzofuran carboxylic acid, AKOS022190339, FCH1220315, 6-chlorobenzo[b]furan-2-carboxylic acid, 6-chloro-benzo[b]furan-2-carboxylic acid, AJ-87141, AS-38394, AX8302463, CS-0036482,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.993g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.586g/mol
Monoisotopic Mass	195.993g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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