Home Other Building Blocks 2,4-Dimethoxybenzyl isocyanate

2,4-Dimethoxybenzyl isocyanate

CAS No.:
93489-13-5
Catalog Number:
AG003FTQ
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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Product Description
Catalog Number:
AG003FTQ
Chemical Name:
2,4-Dimethoxybenzyl isocyanate
CAS Number:
93489-13-5
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD10566942
IUPAC Name:
1-(isocyanatomethyl)-2,4-dimethoxybenzene
InChI:
InChI=1S/C10H11NO3/c1-13-9-4-3-8(6-11-7-12)10(5-9)14-2/h3-5H,6H2,1-2H3
InChI Key:
HDLWLDXVEAXTMM-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(cc1OC)OC
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties