AG002M4C

23073-31-6 | 1H-Indole-3-carboxaldehyde, 4-fluoro-

AG002M4C

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CAS Number	23073-31-6
Catalog Number	AG002M4C(AGN-PC-03KYIB)
Chemical Name	1H-Indole-3-carboxaldehyde, 4-fluoro-
IUPAC Name	4-fluoro-1H-indole-3-carbaldehyde
InChI	InChI=1S/C9H6FNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H
InChI Key	CMNRHJOJYQIGDD-UHFFFAOYSA-N
MDL Number	MFCD00056930
Molecular Formula	C9H6FNO
Molecular Weight	163.1484
SMILES	FC1=CC=CC2=C1C(C=O)=CN2
Synonyms	4-FLUORO-1H-INDOLE-3-CARBALDEHYDE, 23073-31-6, 4-Fluoroindole-3-carboxaldehyde, 1H-Indole-3-carboxaldehyde,4-fluoro-, 1H-Indole-3-carboxaldehyde, 4-fluoro-, 4-Fluoroindole-3-carbaldehyde, SCHEMBL1092485, CTK4F0837, DTXSID70622793, CMNRHJOJYQIGDD-UHFFFAOYSA-N, ZINC2516296, 4-fluoro-1H-indole-3-carboxaldehyde, CF-623, MFCD00056930, AKOS006274093, CS-W007100, DS-4961, RD-0112, SB14986, AJ-36963, AK110829, AM803560, SC-12329, AB0009786, ST24043721, K-6377, J-515405, C9H6FNO, F-5080,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.151g/mol
Monoisotopic Mass	163.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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