AG00ANK0

153203-80-6 | 3,5-Dichloro-4-formylbenzoic acid

AG00ANK0

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CAS Number	153203-80-6
Catalog Number	AG00ANK0(AGN-PC-0WAMG8)
Chemical Name	3,5-Dichloro-4-formylbenzoic acid
IUPAC Name	3,5-dichloro-4-formylbenzoic acid
InChI	InChI=1S/C8H4Cl2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3H,(H,12,13)
InChI Key	KNZHVHRJCNWQKI-UHFFFAOYSA-N
MDL Number	MFCD24483956
Molecular Formula	C8H4Cl2O3
Molecular Weight	219.0216
SMILES	O=C(O)C1=CC(Cl)=C(C=O)C(Cl)=C1
Synonyms	3,5-dichloro-4-formylbenzoic acid, 153203-80-6, 4-formyl-3,5-dichlorobenzoic acid, SCHEMBL3069036, KS-00000TEC, KNZHVHRJCNWQKI-UHFFFAOYSA-N, 4-formyl-3,5-dichloro benzoic acid, MFCD24483956, AKOS027252197, ZINC138128424, SB17776, AK200805, DS-10240, CS-0054520,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.954g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.017g/mol
Monoisotopic Mass	217.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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