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Home > Fluorides > 459218-95-2
459218-95-2 | 3-Fluoro-N-isopropylbenzamide
CAS No: 459218-95-2 Catalog No: AG003T4I MDL No:MFCD01341858
Product Description
Catalog Number:
AG003T4I
Chemical Name:
3-Fluoro-N-isopropylbenzamide
CAS Number:
459218-95-2
Molecular Formula:
C10H12FNO
Molecular Weight:
181.2068
MDL Number:
MFCD01341858
IUPAC Name:
3-fluoro-N-propan-2-ylbenzamide
InChI:
InChI=1S/C10H12FNO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13)
InChI Key:
ZNFBPSJICUZBIX-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1cccc(c1)F)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.21g/mol
Monoisotopic Mass:
181.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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