AG00226D

180624-10-6 | Benzoic acid, 4-amino-3-iodo-5-methoxy-, methyl ester

AG00226D

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CAS Number	180624-10-6
Catalog Number	AG00226D(AGN-PC-0NB95J)
Chemical Name	Benzoic acid, 4-amino-3-iodo-5-methoxy-, methyl ester
IUPAC Name	methyl 4-amino-3-iodo-5-methoxybenzoate
InChI	InChI=1S/C9H10INO3/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4H,11H2,1-2H3
InChI Key	QPFOTRQOKVIZIX-UHFFFAOYSA-N
MDL Number	MFCD11111370
Molecular Formula	C9H10INO3
Molecular Weight	307.0851
SMILES	O=C(OC)C1=CC(OC)=C(N)C(I)=C1
Synonyms	methyl 4-amino-3-iodo-5-methoxybenzoate, 180624-10-6, 4-amino-3-iodo-5-methoxy-benzoic acid methyl ester, AK137675, SCHEMBL15970899, DTXSID10445524, KS-00000RQ8, MFCD11111370, ZINC95635062, AKOS022172404, DS-5872, FCH1402779, QC-8631, AC-30043, SY040814, AB0097394, AJ-133178, AX8259243, MFCD11111370 (95%), Z-8183, 4-AMino-3-iodo-5-Methoxy-benzoicacidMethylester, 3-Methoxy-4-amino-5-iodobenzoic acid methyl ester, Benzoic acid, 4-amino-3-iodo-5-methoxy-, methyl ester, CID10828522, Methyl 4-amino-3-iodo-5-methoxy-benzoate,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.971g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	307.087g/mol
Monoisotopic Mass	306.971g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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