Home Other Building Blocks 1-Benzyl-4-isocyanato-5-methyl-1H-1,2,3-triazole

1-Benzyl-4-isocyanato-5-methyl-1H-1,2,3-triazole

CAS No.:
914637-89-1
Catalog Number:
AG00IGPV
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
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Product Description
Catalog Number:
AG00IGPV
Chemical Name:
1-Benzyl-4-isocyanato-5-methyl-1H-1,2,3-triazole
CAS Number:
914637-89-1
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
MDL Number:
MFCD08235261
IUPAC Name:
1-benzyl-4-isocyanato-5-methyltriazole
InChI:
InChI=1S/C11H10N4O/c1-9-11(12-8-16)13-14-15(9)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChI Key:
MAWFWGAPDVSDSP-UHFFFAOYSA-N
SMILES:
O=C=Nc1nnn(c1C)Cc1ccccc1
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.228g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties