4-Fluoro-3-pyrrolidinobenzaldehyde - CAS 1197193-31-9

Catalog:	BB004605
Product Name:	4-Fluoro-3-pyrrolidinobenzaldehyde
CAS:	1197193-31-9
Synonyms:	4-fluoro-3-(1-pyrrolidinyl)benzaldehyde; 4-fluoro-3-pyrrolidin-1-ylbenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	4-fluoro-3-pyrrolidin-1-ylbenzaldehyde
Description:	4-Fluoro-3-pyrrolidinobenzaldehyde (CAS# 1197193-31-9) is a useful research chemical.
Molecular Weight:	193.22
Molecular Formula:	C11H12FNO
Canonical SMILES:	C1CCN(C1)C2=C(C=CC(=C2)C=O)F
InChI:	InChI=1S/C11H12FNO/c12-10-4-3-9(8-14)7-11(10)13-5-1-2-6-13/h3-4,7-8H,1-2,5-6H2
InChI Key:	MSDFLEONWSSNMO-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.30340

Publication Number	Title	Priority Date
US-10323038-B2	Pyrazole compounds and methods of making and using same	20151120
US-2018327416-A1	Pyrazole compounds and methods of making and using same	20151120
WO-2017087863-A1	Pyrazole compounds and methods of making and using same	20151120
CA-2866302-A1	Carbamate compounds and of making and using same	20120319
EP-2828253-A1	Carbamate compounds and of making and using same	20120319

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Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.090292168
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.090292168
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1