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1000896-40-1 | 1H-Pyrazol-3-amine, 5-(phenylmethoxy)-
CAS No: 1000896-40-1 Catalog No: AG0000VT MDL No:MFCD18205693
Product Description
Catalog Number:
AG0000VT
Chemical Name:
1H-Pyrazol-3-amine, 5-(phenylmethoxy)-
CAS Number:
1000896-40-1
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
MDL Number:
MFCD18205693
IUPAC Name:
3-phenylmethoxy-1H-pyrazol-5-amine
InChI:
InChI=1S/C10H11N3O/c11-9-6-10(13-12-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,11,12,13)
InChI Key:
DPMPAHAAODHNKV-UHFFFAOYSA-N
SMILES:
Nc1n[nH]c(c1)OCc1ccccc1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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