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FURFURYL ISOCYANATE 97

CAS No.:
71189-15-6
Catalog Number:
AG00FBF2
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
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Product Description
Catalog Number:
AG00FBF2
Chemical Name:
FURFURYL ISOCYANATE 97
CAS Number:
71189-15-6
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD03180268
IUPAC Name:
2-(isocyanatomethyl)furan
InChI:
InChI=1S/C6H5NO2/c8-5-7-4-6-2-1-3-9-6/h1-3H,4H2
InChI Key:
UIADMYLYGJYUSQ-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccco1
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties