Home Other Building Blocks 1-(2-isocyanatoethyl)-1H-pyrazole

1-(2-isocyanatoethyl)-1H-pyrazole

CAS No.:
1340558-74-8
Catalog Number:
AG01C52Z
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
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Product Description
Catalog Number:
AG01C52Z
Chemical Name:
1-(2-isocyanatoethyl)-1H-pyrazole
CAS Number:
1340558-74-8
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
MDL Number:
MFCD18269846
IUPAC Name:
1-(2-isocyanatoethyl)pyrazole
InChI:
InChI=1S/C6H7N3O/c10-6-7-3-5-9-4-1-2-8-9/h1-2,4H,3,5H2
InChI Key:
HHORCSCSSYXBGY-UHFFFAOYSA-N
SMILES:
O=C=NCCn1cccn1
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.142g/mol
Monoisotopic Mass:
137.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties