AG00CMZH

35149-23-6 | 2-Iodo-4,5-dimethylbenzoic acid

AG00CMZH

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CAS Number	35149-23-6
Catalog Number	AG00CMZH
Chemical Name	2-Iodo-4,5-dimethylbenzoic acid
IUPAC Name	2-iodo-4,5-dimethylbenzoic acid
InChI	InChI=1S/C9H9IO2/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4H,1-2H3,(H,11,12)
InChI Key	UJPYLBURWVNVJI-UHFFFAOYSA-N
MDL Number	MFCD14583068
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
SMILES	O=C(O)C1=CC(C)=C(C)C=C1I
Synonyms	2-iodo-4,5-dimethylbenzoic acid, 35149-23-6, SCHEMBL10597044, 4,5-dimethyl-2-iodobenzoic acid, UJPYLBURWVNVJI-UHFFFAOYSA-N, MFCD14583068, ZINC95100081, AKOS027327824, 2-Iodo-4,5-dimethylbenzoic acid, 97%, AS-44971,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.965g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.073g/mol
Monoisotopic Mass	275.965g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
UN Code	UN 1759

Certificate of Analysis

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