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1380351-61-0 | 1H-Pyrazole-4-carboxylic acid, 3-amino-5-chloro-, ethyl ester
CAS No: 1380351-61-0 Catalog No: AG0017VL MDL No:
Product Description
Catalog Number:
AG0017VL
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-amino-5-chloro-, ethyl ester
CAS Number:
1380351-61-0
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
IUPAC Name:
ethyl 3-amino-5-chloro-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C6H8ClN3O2/c1-2-12-6(11)3-4(7)9-10-5(3)8/h2H2,1H3,(H3,8,9,10)
InChI Key:
YXUSNHDBFQFIAB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)[nH]nc1N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.599g/mol
Monoisotopic Mass:
189.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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