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229171-07-7 | 1H-PYRAZOLE, 4-IODO-1-(PHENYLMETHOXY)-
CAS No: 229171-07-7 Catalog No: AG002LHV MDL No:MFCD10699161
Product Description
Catalog Number:
AG002LHV
Chemical Name:
1H-PYRAZOLE, 4-IODO-1-(PHENYLMETHOXY)-
CAS Number:
229171-07-7
Molecular Formula:
C10H9IN2O
Molecular Weight:
300.0957
MDL Number:
MFCD10699161
IUPAC Name:
4-iodo-1-phenylmethoxypyrazole
InChI:
InChI=1S/C10H9IN2O/c11-10-6-12-13(7-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
VLRXSAMTKJXSPK-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)OCc1ccccc1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.099g/mol
Monoisotopic Mass:
299.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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