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1156997-06-6 | 1-(3-bromophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CAS No: 1156997-06-6 Catalog No: AG01C32V MDL No:MFCD12134484
Product Description
Catalog Number:
AG01C32V
Chemical Name:
1-(3-bromophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1156997-06-6
Molecular Formula:
C11H9BrN2O
Molecular Weight:
265.1060
MDL Number:
MFCD12134484
IUPAC Name:
1-(3-bromophenyl)-3-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H9BrN2O/c1-8-9(7-15)6-14(13-8)11-4-2-3-10(12)5-11/h2-7H,1H3
InChI Key:
WRVSXYHCBREXEO-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C)c1cccc(c1)Br
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.99g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.11g/mol
Monoisotopic Mass:
263.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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