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Home > Fluorides > 1174233-37-4
1174233-37-4 | 2-Fluoro-1-isocyanato-3-methylbenzene
CAS No: 1174233-37-4 Catalog No: AG01FB5O MDL No:
Product Description
Catalog Number:
AG01FB5O
Chemical Name:
2-Fluoro-1-isocyanato-3-methylbenzene
CAS Number:
1174233-37-4
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
IUPAC Name:
2-fluoro-1-isocyanato-3-methylbenzene
InChI:
InChI=1S/C8H6FNO/c1-6-3-2-4-7(8(6)9)10-5-11/h2-4H,1H3
InChI Key:
VZDOBVJRJIGRFX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1F)N=C=O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.14g/mol
Monoisotopic Mass:
151.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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