AG00DYYU

52107-90-1 | 3-IODO-5-METHYL-BENZOIC ACID

AG00DYYU

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CAS Number	52107-90-1
Catalog Number	AG00DYYU
Chemical Name	3-IODO-5-METHYL-BENZOIC ACID
IUPAC Name	3-iodo-5-methylbenzoic acid
InChI	InChI=1S/C8H7IO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)
InChI Key	FDSUTRCVLDJUCI-UHFFFAOYSA-N
MDL Number	MFCD11007824
Molecular Formula	C8H7IO2
Molecular Weight	262.0445
SMILES	O=C(O)C1=CC(C)=CC(I)=C1
Synonyms	3-IODO-5-METHYLBENZOIC ACID, 52107-90-1, 3-Iodo-5-methyl-benzoic acid, SCHEMBL16925558, CTK8I9966, DTXSID60598236, ZINC45059655, AKOS005216381, AB62677, AK685901, DB-024340, FT-0768883, W-2777,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.949g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.046g/mol
Monoisotopic Mass	261.949g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number