AG001DPX

146137-85-1 | Benzo[b]thiophene-2-carboxylic acid, 4-iodo-, methyl ester

AG001DPX

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CAS Number	146137-85-1
Catalog Number	AG001DPX(AGN-PC-0NC636)
Chemical Name	Benzo[b]thiophene-2-carboxylic acid, 4-iodo-, methyl ester
IUPAC Name	methyl 4-iodo-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C10H7IO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3
InChI Key	UGNPKTSBZTYSKG-UHFFFAOYSA-N
MDL Number	MFCD07371549
Molecular Formula	C10H7IO2S
Molecular Weight	318.1308
SMILES	O=C(C1=CC2=C(I)C=CC=C2S1)OC
Synonyms	146137-85-1, Methyl 4-iodobenzo[b]thiophene-2-carboxylate, 4-IODO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, METHYL 4-IODO-1-BENZOTHIOPHENE-2-CARBOXYLATE, ACMC-1C17X, SCHEMBL829725, CTK0G9717, KS-00000JVZ, DTXSID30446997, UGNPKTSBZTYSKG-UHFFFAOYSA-N, 2846AJ, MFCD07371549, ZINC95635074, AKOS024258341, FCH1382927, NE62880, AK153493, AJ-133186, AX8025997, DB-063643, CS-0041023, FT-0752210, 4-iodobenzo[b]thiophene-2-carboxylic acid methyl ester, Benzo[b]thiophene-2-carboxylic acid, 4-iodo-, methyl ester, C10H7IO2S, CID10881669, Methyl 4-iodobenzothiophene-2-carboxylate, 4-IODO-BENZO[B]THIOPHENE-2-CARBOXYLICACIDMETHYLESTER,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.921g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	318.128g/mol
Monoisotopic Mass	317.921g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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