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17337-13-2 | 1,1'-Biphenyl, 2-isocyanato-
CAS No: 17337-13-2 Catalog No: AG001YUZ MDL No:MFCD00037087
Product Description
Catalog Number:
AG001YUZ
Chemical Name:
1,1'-Biphenyl, 2-isocyanato-
CAS Number:
17337-13-2
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
MDL Number:
MFCD00037087
IUPAC Name:
1-isocyanato-2-phenylbenzene
InChI:
InChI=1S/C13H9NO/c15-10-14-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H
InChI Key:
IHHUGFJSEJSCGE-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1c1ccccc1
EC Number:
605-677-1
NSC Number:
8076
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.221g/mol
Monoisotopic Mass:
195.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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