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65535-53-7 | 4-Fluorophenethyl isocyanate
CAS No: 65535-53-7 Catalog No: AG003LFS MDL No:MFCD04039913
Product Description
Catalog Number:
AG003LFS
Chemical Name:
4-Fluorophenethyl isocyanate
CAS Number:
65535-53-7
Molecular Formula:
C9H10FNO
Molecular Weight:
167.1802
MDL Number:
MFCD04039913
IUPAC Name:
1-fluoro-4-(2-isocyanatoethyl)benzene
InChI:
InChI=1S/C9H8FNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
InChI Key:
FDCHHLBMDMJXGM-UHFFFAOYSA-N
SMILES:
O/C=N/CCc1ccc(cc1)F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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