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2092458-56-3 | 4-[(4-iodo-1-methyl-1H-pyrazol-5-yl)methyl]morpholine
CAS No: 2092458-56-3 Catalog No: AG01BSRA MDL No:MFCD30538949
Product Description
Catalog Number:
AG01BSRA
Chemical Name:
4-[(4-iodo-1-methyl-1H-pyrazol-5-yl)methyl]morpholine
CAS Number:
2092458-56-3
Molecular Formula:
C9H14IN3O
Molecular Weight:
307.1314
MDL Number:
MFCD30538949
IUPAC Name:
4-[(4-iodo-2-methylpyrazol-3-yl)methyl]morpholine
InChI:
InChI=1S/C9H14IN3O/c1-12-9(8(10)6-11-12)7-13-2-4-14-5-3-13/h6H,2-5,7H2,1H3
InChI Key:
WPRNLAMZTJIYMS-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1CN1CCOCC1)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.018g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.135g/mol
Monoisotopic Mass:
307.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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