AG007SS5

18595-15-8 | Methyl 3-amino-5-iodobenzoate

AG007SS5

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CAS Number	18595-15-8
Catalog Number	AG007SS5(AGN-PC-037KAE)
Chemical Name	Methyl 3-amino-5-iodobenzoate
IUPAC Name	methyl 3-amino-5-methylbenzoate
InChI	InChI=1S/C9H11NO2/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5H,10H2,1-2H3
InChI Key	BPJRIMLTKIFIHS-UHFFFAOYSA-N
MDL Number	MFCD09263222
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	O=C(OC)C1=CC(C)=CC(N)=C1
Synonyms	METHYL 3-AMINO-5-METHYLBENZOATE, 18595-15-8, Benzoic acid, 3-amino-5-methyl-, methyl ester, 3-Amino-5-methylbenzoic acid methyl ester, 3-amino-5-methyl-benzoic acid methyl ester, SCHEMBL3349389, CTK4D9115, KS-00000GKW, DTXSID20610923, ANW-73571, MFCD09263222, ZINC14985981, AKOS012321778, AC-28503, AJ-66491, AK-46863, DS-14150, QC-10752, SC-89656, AB0072771, TC-162316, 4CH-000301, CS-0028806, FT-0749857, ST24047792, Benzoic acid,3-amino-5-methyl-, methyl ester, W-2406, 3-Amino-5-methyl-benzoic acid methyl ester, AldrichCPR,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number