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116857-95-5 | 1H-Indazole-1-propanamide, 5-chloro-
CAS No: 116857-95-5 Catalog No: AG000DB7 MDL No:
Product Description
Catalog Number:
AG000DB7
Chemical Name:
1H-Indazole-1-propanamide, 5-chloro-
CAS Number:
116857-95-5
Molecular Formula:
C10H10ClN3O
Molecular Weight:
223.6589
IUPAC Name:
3-(5-chloroindazol-1-yl)propanamide
InChI:
InChI=1S/C10H10ClN3O/c11-8-1-2-9-7(5-8)6-13-14(9)4-3-10(12)15/h1-2,5-6H,3-4H2,(H2,12,15)
InChI Key:
BOEZHCOICLVOTD-UHFFFAOYSA-N
SMILES:
NC(=O)CCn1ncc2c1ccc(c2)Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.66g/mol
Monoisotopic Mass:
223.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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