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Home Carbonyls 3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride

3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride

CAS No.:
160842-62-6
Catalog Number:
AG001VF0
Molecular Formula:
C9H13ClN2O
Molecular Weight:
200.6653
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$49
- +
5g
98%
In Stock USA
United States
$200
- +
25g
98%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG001VF0
Chemical Name:
3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride
CAS Number:
160842-62-6
Molecular Formula:
C9H13ClN2O
Molecular Weight:
200.6653
MDL Number:
MFCD00084916
IUPAC Name:
5-tert-butyl-2-methylpyrazole-3-carbonyl chloride
InChI:
InChI=1S/C9H13ClN2O/c1-9(2,3)7-5-6(8(10)13)12(4)11-7/h5H,1-4H3
InChI Key:
SJGURXGUNLVMAQ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(nn1C)C(C)(C)C
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.666g/mol
Monoisotopic Mass:
200.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties