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Home > Aldehydes > 869496-62-8
869496-62-8 | 3-(3-Bromophenyl)isoxazole-5-carbaldehyde
CAS No: 869496-62-8 Catalog No: AG004HM2 MDL No:MFCD06738505
Product Description
Catalog Number:
AG004HM2
Chemical Name:
3-(3-Bromophenyl)isoxazole-5-carbaldehyde
CAS Number:
869496-62-8
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD06738505
IUPAC Name:
3-(3-bromophenyl)-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C10H6BrNO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)14-12-10/h1-6H
InChI Key:
IJRDQYJFADPHNO-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)c1cccc(c1)Br
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.067g/mol
Monoisotopic Mass:
250.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Discovery of substituted isoxazolecarbaldehydes as potent spermicides, acrosin inhibitors and mild anti-fungal agents. | Human reproduction (Oxford, England) 20050801 |
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