Home Halogens methyl 5-amino-4-chloro-1H-pyrazole-3-carboxylate

methyl 5-amino-4-chloro-1H-pyrazole-3-carboxylate

CAS No.:
1287752-81-1
Catalog Number:
AG01CA7J
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
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Product Description
Catalog Number:
AG01CA7J
Chemical Name:
methyl 5-amino-4-chloro-1H-pyrazole-3-carboxylate
CAS Number:
1287752-81-1
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
MDL Number:
MFCD14702896
IUPAC Name:
methyl 3-amino-4-chloro-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C5H6ClN3O2/c1-11-5(10)3-2(6)4(7)9-8-3/h1H3,(H3,7,8,9)
InChI Key:
IMRRCYCWOKFZGG-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c(c1Cl)N
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.572g/mol
Monoisotopic Mass:
175.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties