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162640-69-9

162640-69-9 | 1H-Pyrazole-4-carbonyl chloride, 3,5-dichloro-1-methyl-

CAS No: 162640-69-9 Catalog No: AG001TA5 MDL No:

Product Description

Catalog Number:
AG001TA5
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 3,5-dichloro-1-methyl-
CAS Number:
162640-69-9
Molecular Formula:
C5H3Cl3N2O
Molecular Weight:
213.4491
IUPAC Name:
3,5-dichloro-1-methylpyrazole-4-carbonyl chloride
InChI:
InChI=1S/C5H3Cl3N2O/c1-10-4(7)2(5(8)11)3(6)9-10/h1H3
InChI Key:
KGVFEWGBMAYCDH-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(Cl)nn(c1Cl)C

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.931g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.442g/mol
Monoisotopic Mass:
211.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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