Home Aldehydes Benzaldehyde, 2-(1H-pyrazol-1-yl)-

Benzaldehyde, 2-(1H-pyrazol-1-yl)-

CAS No.:
138479-47-7
Catalog Number:
AG00198B
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00198B
Chemical Name:
Benzaldehyde, 2-(1H-pyrazol-1-yl)-
CAS Number:
138479-47-7
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD03086186
IUPAC Name:
2-pyrazol-1-ylbenzaldehyde
InChI:
InChI=1S/C10H8N2O/c13-8-9-4-1-2-5-10(9)12-7-3-6-11-12/h1-8H
InChI Key:
KIGZYDJKBTYFBZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1n1cccn1
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties