AG00EL47

58588-59-3 | 3-Chloro-4-formylbenzoic acid

AG00EL47

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CAS Number	58588-59-3
Catalog Number	AG00EL47(AGN-PC-0NIEEE)
Chemical Name	3-Chloro-4-formylbenzoic acid
IUPAC Name	3-chloro-4-formylbenzoic acid
InChI	InChI=1S/C8H5ClO3/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-4H,(H,11,12)
InChI Key	STTXUSSNIZOQGV-UHFFFAOYSA-N
MDL Number	MFCD20649616
Molecular Formula	C8H5ClO3
Molecular Weight	184.5765
SMILES	O=C(O)C1=CC=C(C=O)C(Cl)=C1
Synonyms	3-Chloro-4-formylbenzoic acid, 58588-59-3, SCHEMBL1668376, STTXUSSNIZOQGV-UHFFFAOYSA-N, MFCD20649616, ZINC39202445, AKOS022641803, NE35810, AS-46241, FT-0756995,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.993g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.575g/mol
Monoisotopic Mass	183.993g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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