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1601-46-3

1601-46-3 | Cyanic acid, 2,4-dichlorophenyl ester

CAS No: 1601-46-3 Catalog No: AG001ROS MDL No:

Product Description

Catalog Number:
AG001ROS
Chemical Name:
Cyanic acid, 2,4-dichlorophenyl ester
CAS Number:
1601-46-3
Molecular Formula:
C7H3Cl2NO
Molecular Weight:
188.0108
IUPAC Name:
(2,4-dichlorophenyl) cyanate
InChI:
InChI=1S/C7H3Cl2NO/c8-5-1-2-7(11-4-10)6(9)3-5/h1-3H
InChI Key:
BRBXNVQANQPNPP-UHFFFAOYSA-N
SMILES:
N#COc1ccc(cc1Cl)Cl

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.007g/mol
Monoisotopic Mass:
186.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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