AG00CW3O

313337-34-7 | 4-Fluoro-1H-indole-7-carboxylic acid

AG00CW3O

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CAS Number	313337-34-7
Catalog Number	AG00CW3O(AGN-PC-00BZG4)
Chemical Name	4-Fluoro-1H-indole-7-carboxylic acid
IUPAC Name	4-fluoro-1H-indole-7-carboxylic acid
InChI	InChI=1S/C9H6FNO2/c10-7-2-1-6(9(12)13)8-5(7)3-4-11-8/h1-4,11H,(H,12,13)
InChI Key	GDLCLHCOKQFBPI-UHFFFAOYSA-N
MDL Number	MFCD11845609
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	O=C(C1=CC=C(F)C2=C1NC=C2)O
Synonyms	4-fluoro-1H-indole-7-carboxylic Acid, 313337-34-7, AK-77761, 4-fluoro-7-carboxyindole, SCHEMBL5187097, 7-Carboxy-4-fluoro-1H-indole, CTK8C4855, KS-00000IDA, DTXSID10468859, GDLCLHCOKQFBPI-UHFFFAOYSA-N, 4-Fluoro-7-indole carboxylic acid, ZX-AP010332, 3361AB, ANW-73368, MFCD11845609, PC6002, ZINC35854963, 4-fluoro-1H-indol-7-carboxylic acid, AKOS016008671, FCH1181597, SB15242, ACM313337347, AJ-92177, DS-17207, QC-10648, SC-31656, AB0098186, AX8167932, TC-162113, W-2572, C9H6FNO2, CID11579217,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.15g/mol
Monoisotopic Mass	179.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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