AG00I4WP

256935-98-5 | 1H-Indole-5-carboxylic acid, 7-fluoro-, methyl ester

AG00I4WP

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CAS Number	256935-98-5
Catalog Number	AG00I4WP(AGN-PC-0A8ZWI)
Chemical Name	1H-Indole-5-carboxylic acid, 7-fluoro-, methyl ester
IUPAC Name	methyl 7-fluoro-1H-indole-5-carboxylate
InChI	InChI=1S/C10H8FNO2/c1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7/h2-5,12H,1H3
InChI Key	VONJGOKZTQSBNK-UHFFFAOYSA-N
MDL Number	MFCD28962759
Molecular Formula	C10H8FNO2
Molecular Weight	193.1744
SMILES	O=C(C1=CC2=C(NC=C2)C(F)=C1)OC
Synonyms	Methyl 7-fluoro-1H-indole-5-carboxylate, 256935-98-5, AK147135, 1H-Indole-5-carboxylic acid, 7-fluoro-, methyl ester, SCHEMBL7926728, KS-00000S5B, MFCD06656840, ZINC98177786, 5-methoxycarbonyl-7-fluoro-1H-indole, AKOS022187259, DS-8682, FCH1152656, SC-61878, AJ-138891, AX8284616, ST24048061, 1H-INDOLE-5-CARBOXYLIC ACID,7-FLUORO-,METHYL ESTER,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.054g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.177g/mol
Monoisotopic Mass	193.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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