Home Other Building Blocks 1-isocyanato-4-(methoxymethyl)benzene

1-isocyanato-4-(methoxymethyl)benzene

CAS No.:
873452-35-8
Catalog Number:
AG01B3VI
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
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Product Description
Catalog Number:
AG01B3VI
Chemical Name:
1-isocyanato-4-(methoxymethyl)benzene
CAS Number:
873452-35-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD28658578
IUPAC Name:
1-isocyanato-4-(methoxymethyl)benzene
InChI:
InChI=1S/C9H9NO2/c1-12-6-8-2-4-9(5-3-8)10-7-11/h2-5H,6H2,1H3
InChI Key:
LRSPIUJTWKODRK-UHFFFAOYSA-N
SMILES:
COCc1ccc(cc1)N=C=O
Properties
Complexity:
167  
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:
3  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties