Home Other Building Blocks (2-isocyanatoethoxy)benzene

(2-isocyanatoethoxy)benzene

CAS No.:
4747-92-6
Catalog Number:
AG01ARK4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
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Product Description
Catalog Number:
AG01ARK4
Chemical Name:
(2-isocyanatoethoxy)benzene
CAS Number:
4747-92-6
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD11613848
IUPAC Name:
2-isocyanatoethoxybenzene
InChI:
InChI=1S/C9H9NO2/c11-8-10-6-7-12-9-4-2-1-3-5-9/h1-5H,6-7H2
InChI Key:
SGKMITSKCVYDPL-UHFFFAOYSA-N
SMILES:
O=C=NCCOc1ccccc1
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties