Home Halogens 4-(2-chloroethyl)-1H-pyrazole

4-(2-chloroethyl)-1H-pyrazole

CAS No.:
438475-37-7
Catalog Number:
AG00DARS
Molecular Formula:
C5H7ClN2
Molecular Weight:
130.5755
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Product Description
Catalog Number:
AG00DARS
Chemical Name:
4-(2-chloroethyl)-1H-pyrazole
CAS Number:
438475-37-7
Molecular Formula:
C5H7ClN2
Molecular Weight:
130.5755
MDL Number:
MFCD08059907
IUPAC Name:
4-(2-chloroethyl)-1H-pyrazole
InChI:
InChI=1S/C5H7ClN2/c6-2-1-5-3-7-8-4-5/h3-4H,1-2H2,(H,7,8)
InChI Key:
KBGYVEMTQPFYBN-UHFFFAOYSA-N
SMILES:
ClCCc1c[nH]nc1
Properties
Complexity:
67.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.03g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.575g/mol
Monoisotopic Mass:
130.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties