AG007Q87

121431-27-4 | 3-Fluoro-N-isopropylaniline

AG007Q87

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CAS Number	121431-27-4
Catalog Number	AG007Q87(AGN-PC-0PFMBU)
Chemical Name	3-Fluoro-N-isopropylaniline
IUPAC Name	3-fluoro-N-propan-2-ylaniline
InChI	InChI=1S/C9H12FN/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7,11H,1-2H3
InChI Key	OKLSPPNBXPEEJR-UHFFFAOYSA-N
MDL Number	MFCD04972886
Molecular Formula	C9H12FN
Molecular Weight	153.1967
SMILES	FC1=CC(NC(C)C)=CC=C1
Synonyms	121431-27-4, N-Isopropyl-3-fluoroaniline, 3-Fluoro-N-isopropylaniline, 3-fluoro-N-(propan-2-yl)aniline, 3-fluoro-N-propan-2-ylaniline, (3-Fluoro-phenyl)-isopropyl-amine, Benzenamine,3-fluoro-N-(1-methylethyl)-, SCHEMBL632883, ACMC-1C527, CTK4B2355, DTXSID90561635, 3-fluoranyl-N-propan-2-yl-aniline, ZINC2540332, AB3774, MFCD04972886, AKOS000235511, 3-FLUORO-N-ISOPROPYLBENZENAMINE, VZ35087, AJ-39065, FT-0652933, A-7862, 431I274, A804720, I01-6304, J-004495, Z266497380,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.095g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.2g/mol
Monoisotopic Mass	153.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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