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Home > Bromides > 1374657-02-9
1374657-02-9 | 1H-Pyrazole, 4-bromo-1-(3-oxetanyl)-
CAS No: 1374657-02-9 Catalog No: AG0013BM MDL No:MFCD21849011
Product Description
Catalog Number:
AG0013BM
Chemical Name:
1H-Pyrazole, 4-bromo-1-(3-oxetanyl)-
CAS Number:
1374657-02-9
Molecular Formula:
C6H7BrN2O
Molecular Weight:
203.0366
MDL Number:
MFCD21849011
IUPAC Name:
4-bromo-1-(oxetan-3-yl)pyrazole
InChI:
InChI=1S/C6H7BrN2O/c7-5-1-8-9(2-5)6-3-10-4-6/h1-2,6H,3-4H2
InChI Key:
JQMOXXCOWYOPHE-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)C1COC1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.974g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.039g/mol
Monoisotopic Mass:
201.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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