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123-61-5 | Benzene, 1,3-diisocyanato-
CAS No: 123-61-5 Catalog No: AG000JWY MDL No:MFCD00002018
Product Description
Catalog Number:
AG000JWY
Chemical Name:
Benzene, 1,3-diisocyanato-
CAS Number:
123-61-5
Molecular Formula:
C8H4N2O2
Molecular Weight:
160.1296
MDL Number:
MFCD00002018
IUPAC Name:
1,3-diisocyanatobenzene
InChI:
InChI=1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
InChI Key:
VGHSXKTVMPXHNG-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)N=C=O
EC Number:
204-637-7
UNII:
B44H9MFH1S
NSC Number:
511721
UN Number:
2206
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.132g/mol
Monoisotopic Mass:
160.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Ionic liquid-based preparation of cellulose-dendrimer films as solid supports for enzyme immobilization. | Biomacromolecules 20080101 |
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