AG000PIO

1197193-31-9 | Benzaldehyde, 4-fluoro-3-(1-pyrrolidinyl)-

AG000PIO

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CAS Number	1197193-31-9
Catalog Number	AG000PIO(AGN-PC-0A9PQR)
Chemical Name	Benzaldehyde, 4-fluoro-3-(1-pyrrolidinyl)-
IUPAC Name	4-fluoro-3-pyrrolidin-1-ylbenzaldehyde
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
MDL Number	MFCD13191603
Molecular Formula	C11H12FNO
Molecular Weight	193.2175
SMILES	O=CC1=CC=C(F)C(N2CCCC2)=C1
Synonyms	4-fluoro-3-pyrrolidinobenzaldehyde, 1197193-31-9, 4-Fluoro-3-(pyrrolidin-1-yl)benzaldehyde, 4-FLUORO-3-(1-PYRROLIDINYL)BENZALDEHYDE, SCHEMBL15264110, KS-00000AZW, DTXSID40712332, 6169AJ, MFCD13191603, ZINC42684456, AKOS015950554, FCH1138814, TRA0048499, AS-31669, SY006898, AB0064162, AB1000829, AJ-104593, AX8173859, DB-061632, TC-307692, Benzaldehyde, 4-fluoro-3-(1-pyrrolidinyl)-, FT-0750357, MFCD13191603 (95%), Z-3998, null, C11H12FNO, 13509-19-8,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	193.221g/mol
Monoisotopic Mass	193.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number