AG00DBUI

4506-45-0 | 5-Chloro-2-formyl-benzoic acid

AG00DBUI

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CAS Number	4506-45-0
Catalog Number	AG00DBUI(AGN-PC-0LXABA)
Chemical Name	5-Chloro-2-formyl-benzoic acid
IUPAC Name	5-chloro-2-formylbenzoic acid
InChI	InChI=1S/C8H5ClO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12)
InChI Key	NQAMSLASTWZONN-UHFFFAOYSA-N
MDL Number	MFCD06739601
Molecular Formula	C8H5ClO3
Molecular Weight	184.5765
SMILES	C(=O)(O)c1c(C=O)ccc(c1)Cl
Synonyms	5-chloro-2-formylbenzoic acid, 4506-45-0, 5-chloro-2-formyl-benzoic Acid, 2-formyl-5-chlorobenzoic acid, Benzoic acid, 5-chloro-2-formyl-, AC1OGVCA, PubChem16943, SCHEMBL78317, 4-chloro-2-carboxybenzaldehyde, CTK7H9580, KS-00000QJT, DTXSID60428347, NQAMSLASTWZONN-UHFFFAOYSA-N, ZINC4299109, 6217AB, ANW-68302, CL8127, MFCD06739601, AKOS005209317, CS-W019485, AJ-50499, AK-79888, DS-17787, SC-66199, DB-070623, TC-157047, 5-chloro-2-formyl-benzoic acid, AldrichCPR, FT-0766861, ST24044608, X-3674, C8H5ClO3, 1-DODECYL-PYRROLE-2,5-DIONE, CID7176209,

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	1.7

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

Lot Number