AG006JQA

672293-33-3 | Methyl 4-amino-5-iodo-2-methylbenzoate

AG006JQA

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CAS Number	672293-33-3
Catalog Number	AG006JQA(AGN-PC-079S1P)
Chemical Name	Methyl 4-amino-5-iodo-2-methylbenzoate
IUPAC Name	methyl 4-amino-5-iodo-2-methylbenzoate
InChI	InChI=1S/C9H10INO2/c1-5-3-8(11)7(10)4-6(5)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key	UEROLPZUGANXKB-UHFFFAOYSA-N
MDL Number	MFCD11112906
Molecular Formula	C9H10INO2
Molecular Weight	291.0857
SMILES	O=C(OC)C1=CC(I)=C(N)C=C1C
Synonyms	methyl 4-amino-5-iodo-2-methylbenzoate, 672293-33-3, AK-90232, methyl 4-amino-3-iodo-6-methylbenzoate, SCHEMBL3970865, CTK5C5887, DTXSID50661024, BCP10247, MFCD11112906, ZINC39951670, AKOS015852020, FCH1402875, KS-00000Q57, DS-16813, SC-68039, AB0049245, AJ-100758, DB-073848, TC-066978, FT-0655065, methyl 4-azanyl-5-iodanyl-2-methyl-benzoate, ST24047896, Methyl 4-amino-5-iodo-2-methylbenzoate, 97%, 4-amino-5-iodo-2-methylbenzoic acid methyl ester, A835666, I14-5486, 2-(cyclohexanecarboxamido)acetic acid,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.976g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.088g/mol
Monoisotopic Mass	290.976g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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