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Phenyl isocyanate

CAS No.:
103-71-9
Catalog Number:
AG0085FY
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
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Product Description
Catalog Number:
AG0085FY
Chemical Name:
Phenyl isocyanate
CAS Number:
103-71-9
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
MDL Number:
MFCD00001994
IUPAC Name:
isocyanatobenzene
InChI:
InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChI Key:
DGTNSSLYPYDJGL-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1
EC Number:
203-137-6
UNII:
196GO6BSOH
NSC Number:
74454
RTECS Number:
DA3675000
UN Number:
2487
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.037g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.123g/mol
Monoisotopic Mass:
119.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
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Properties