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1378271-66-9 | 1H-Pyrazole-3-carboxylic acid, 5-chloro-, ethyl ester
CAS No: 1378271-66-9 Catalog No: AG0013WP MDL No:MFCD28501269
Product Description
Catalog Number:
AG0013WP
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-chloro-, ethyl ester
CAS Number:
1378271-66-9
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD28501269
IUPAC Name:
ethyl 5-chloro-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H7ClN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9)
InChI Key:
WXRAGHWFXPRSLV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]n1)Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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