AG00356T

879542-48-0 | Methyl 3-Chloro-5-formylbenzoate

AG00356T

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CAS Number	879542-48-0
Catalog Number	AG00356T(AGN-PC-0WADVC)
Chemical Name	Methyl 3-Chloro-5-formylbenzoate
IUPAC Name	methyl 3-chloro-5-formylbenzoate
InChI	InChI=1S/C9H7ClO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-5H,1H3
InChI Key	JUCIYUKIAAFMJA-UHFFFAOYSA-N
MDL Number	MFCD22544335
Molecular Formula	C9H7ClO3
Molecular Weight	198.6031
SMILES	O=C(OC)C1=CC(C=O)=CC(Cl)=C1
Synonyms	Methyl 3-chloro-5-formylbenzoate, 879542-48-0, SCHEMBL3365862, JUCIYUKIAAFMJA-UHFFFAOYSA-N, 7024AJ, MFCD22544335, ZINC95764427, 3-Chloro-5-methoxymethyl-benzaldehyde, AKOS022176620, AB77645, TRA0054997, AS-32327, DA-02030, SY026331, AJ-133853, 3-chloro-5-formyl-benzoic acid methyl ester, FT-0722815, Z-3660, Benzoic acid, 3-chloro-5-formyl-, methyl ester, MFCD22544335 (97+%), C9H7ClO3,

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	2.3

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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