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116228-39-8 | Methanone, (4-bromo-1H-pyrazol-1-yl)phenyl-
CAS No: 116228-39-8 Catalog No: AG000BZA MDL No:
Product Description
Catalog Number:
AG000BZA
Chemical Name:
Methanone, (4-bromo-1H-pyrazol-1-yl)phenyl-
CAS Number:
116228-39-8
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
IUPAC Name:
(4-bromopyrazol-1-yl)-phenylmethanone
InChI:
InChI=1S/C10H7BrN2O/c11-9-6-12-13(7-9)10(14)8-4-2-1-3-5-8/h1-7H
InChI Key:
HLUXTGXWCAZAOJ-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)C(=O)c1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.083g/mol
Monoisotopic Mass:
249.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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