Home Other Building Blocks 4-Isocyanatobenzophenone

4-Isocyanatobenzophenone

CAS No.:
63648-38-4
Catalog Number:
AG003LL4
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
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Product Description
Catalog Number:
AG003LL4
Chemical Name:
4-Isocyanatobenzophenone
CAS Number:
63648-38-4
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD03701599
IUPAC Name:
(4-isocyanatophenyl)-phenylmethanone
InChI:
InChI=1S/C14H9NO2/c16-10-15-13-8-6-12(7-9-13)14(17)11-4-2-1-3-5-11/h1-9H
InChI Key:
UUUAWYNSKSCNMD-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)C(=O)c1ccccc1
NSC Number:
177020
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties