AG001DZC

1464091-62-0 | Methyl 2-amino-4-methyl-5-iodobenzoate

AG001DZC

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CAS Number	1464091-62-0
Catalog Number	AG001DZC(AGN-PC-0CG89F)
Chemical Name	Methyl 2-amino-4-methyl-5-iodobenzoate
IUPAC Name	methyl 2-amino-5-iodo-4-methylbenzoate
InChI	InChI=1S/C9H10INO2/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key	NFCJVRIKQOSUBJ-UHFFFAOYSA-N
MDL Number	MFCD26407319
Molecular Formula	C9H10INO2
Molecular Weight	291.0857
SMILES	O=C(OC)C1=CC(I)=C(C)C=C1N
Synonyms	1464091-62-0, METHYL 2-AMINO-4-METHYL-5-IODOBENZOATE, methyl 2-amino-5-iodo-4-methylbenzoate, SCHEMBL12021191, MFCD26407319, SC5077, ZINC95831109, AS-54688, 2-Amino-5-iodo-4-methyl-benzoic acid methyl ester, Benzoic acid, 2-amino-5-iodo-4-methyl-, methyl ester,

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	2.7

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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