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Home > Aldehydes > 1171762-40-5
1171762-40-5 | 3-(3-bromo-4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1171762-40-5 Catalog No: AG00J54N MDL No:MFCD14281707
Product Description
Catalog Number:
AG00J54N
Chemical Name:
3-(3-bromo-4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1171762-40-5
Molecular Formula:
C11H9BrN2O
Molecular Weight:
265.1060
MDL Number:
MFCD14281707
IUPAC Name:
5-(3-bromo-4-methylphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H9BrN2O/c1-7-2-3-8(4-10(7)12)11-9(6-15)5-13-14-11/h2-6H,1H3,(H,13,14)
InChI Key:
JNTLCIBOLKTOFL-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccc(c(c1)Br)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
265.11g/mol
Monoisotopic Mass:
263.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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