Home Other Building Blocks (3-isocyanatopropoxy)benzene

(3-isocyanatopropoxy)benzene

CAS No.:
301530-53-0
Catalog Number:
AG019ZFJ
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
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Product Description
Catalog Number:
AG019ZFJ
Chemical Name:
(3-isocyanatopropoxy)benzene
CAS Number:
301530-53-0
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD18269725
IUPAC Name:
3-isocyanatopropoxybenzene
InChI:
InChI=1S/C10H11NO2/c12-9-11-7-4-8-13-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChI Key:
BHNPMIFUYRTISC-UHFFFAOYSA-N
SMILES:
O=C=NCCCOc1ccccc1
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties