AG002LWV

230291-43-7 | 1H-INDOLE-2-CARBOXYLIC ACID, 4-CHLORO-, METHYL ESTER

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CAS Number	230291-43-7
Catalog Number	AG002LWV(AGN-PC-0WANCL)
Chemical Name	1H-INDOLE-2-CARBOXYLIC ACID, 4-CHLORO-, METHYL ESTER
IUPAC Name	methyl 4-chloro-1H-indole-2-carboxylate
InChI	InChI=1S/C10H8ClNO2/c1-14-10(13)9-5-6-7(11)3-2-4-8(6)12-9/h2-5,12H,1H3
InChI Key	VCWSTLMSXZPPMD-UHFFFAOYSA-N
MDL Number	MFCD04966957
Molecular Formula	C10H8ClNO2
Molecular Weight	209.6290
SMILES	O=C(C(N1)=CC2=C1C=CC=C2Cl)OC
Synonyms	methyl 4-chloro-1H-indole-2-carboxylate, 230291-43-7, 1H-Indole-2-carboxylic acid, 4-chloro-, Methyl ester, 4-Chloro-1H-indole-2-carboxylic acid methyl ester, methyl 4-chloroindole-2-carboxylate, ZERO/005892, AC1NFWE6, SCHEMBL5568273, CTK6I9564, VCWSTLMSXZPPMD-UHFFFAOYSA-N, KS-00000S7N, ZINC2534074, BBL022336, MFCD04966957, SBB013766, STK688585, AKOS000123953, MCULE-7174448945, AJ-38585, AK-79926, AS-48701, ST087360, CS-0058757, 4-Chloroindole-2-carboxylic acid methyl ester, C57067, Z241591192, CID4714974, H8208,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.024g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.629g/mol
Monoisotopic Mass	209.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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