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1374830-03-1 | 1H-Pyrazole-1-ethanol, 4-amino-5-chloro-α,α-dimethyl-
CAS No: 1374830-03-1 Catalog No: AG0013CL MDL No:
Product Description
Catalog Number:
AG0013CL
Chemical Name:
1H-Pyrazole-1-ethanol, 4-amino-5-chloro-α,α-dimethyl-
CAS Number:
1374830-03-1
Molecular Formula:
C7H12ClN3O
Molecular Weight:
189.6427
IUPAC Name:
1-(4-amino-5-chloropyrazol-1-yl)-2-methylpropan-2-ol
InChI:
InChI=1S/C7H12ClN3O/c1-7(2,12)4-11-6(8)5(9)3-10-11/h3,12H,4,9H2,1-2H3
InChI Key:
IBJQREYEHQBRQJ-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1Cl)N)(O)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.643g/mol
Monoisotopic Mass:
189.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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