Home Other Building Blocks 4-(HEPTYLOXY)PHENYL ISOCYANATE

4-(HEPTYLOXY)PHENYL ISOCYANATE

CAS No.:
55792-37-5
Catalog Number:
AG003K8F
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
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Product Description
Catalog Number:
AG003K8F
Chemical Name:
4-(HEPTYLOXY)PHENYL ISOCYANATE
CAS Number:
55792-37-5
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
MDL Number:
MFCD00673053
IUPAC Name:
1-heptoxy-4-isocyanatobenzene
InChI:
InChI=1S/C14H19NO2/c1-2-3-4-5-6-11-17-14-9-7-13(8-10-14)15-12-16/h7-10H,2-6,11H2,1H3
InChI Key:
KJMZSDMQWFWLCX-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)N=C=O
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties