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Home > Aldehydes > 1188037-62-8
1188037-62-8 | 5-broMo-3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS No: 1188037-62-8 Catalog No: AG009LV6 MDL No:MFCD09746359
Product Description
Catalog Number:
AG009LV6
Chemical Name:
5-broMo-3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1188037-62-8
Molecular Formula:
C14H15BrN2O
Molecular Weight:
307.1857
MDL Number:
MFCD09746359
IUPAC Name:
5-bromo-3-(2-methylpropyl)-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H15BrN2O/c1-10(2)8-13-12(9-18)14(15)17(16-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChI Key:
AZAYWWKYUOVUFQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(CC(C)C)nn(c1Br)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.191g/mol
Monoisotopic Mass:
306.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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