AG005HXO

74733-26-9 | Methyl 3-chloro-4-formylbenzoate

AG005HXO

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CAS Number	74733-26-9
Catalog Number	AG005HXO(AGN-PC-02N5IG)
Chemical Name	Methyl 3-chloro-4-formylbenzoate
IUPAC Name	methyl 3-chloro-4-formylbenzoate
InChI	InChI=1S/C9H7ClO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-5H,1H3
InChI Key	HTBWDEJOUJMERN-UHFFFAOYSA-N
MDL Number	MFCD16036862
Molecular Formula	C9H7ClO3
Molecular Weight	198.6031
SMILES	O=C(OC)C1=CC=C(C=O)C(Cl)=C1
Synonyms	METHYL 3-CHLORO-4-FORMYLBENZOATE, 74733-26-9, SCHEMBL3647722, CTK8B7412, DTXSID50602811, HTBWDEJOUJMERN-UHFFFAOYSA-N, KS-00000P0Q, ANW-57229, CL9164, MFCD16036862, ZINC59143707, AKOS016002390, AK-51472, CJ-20835, DA-41491, DS-15834, SC-66065, AJ-113292, TC-145974, 4CH-003540, CS-0042802, FT-0699425, ST24025289, Benzoic acid, 3-chloro-4-formyl-, methyl ester,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.008g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.602g/mol
Monoisotopic Mass	198.008g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number