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Home > Aldehydes > 176961-43-6
176961-43-6 | Benzaldehyde, 2-bromo-5-(2-oxazolyl)-
CAS No: 176961-43-6 Catalog No: AG002513 MDL No:
Product Description
Catalog Number:
AG002513
Chemical Name:
Benzaldehyde, 2-bromo-5-(2-oxazolyl)-
CAS Number:
176961-43-6
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
IUPAC Name:
2-bromo-5-(1,3-oxazol-2-yl)benzaldehyde
InChI:
InChI=1S/C10H6BrNO2/c11-9-2-1-7(5-8(9)6-13)10-12-3-4-14-10/h1-6H
InChI Key:
ZVOZUMCLFHQEPJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Br)c1ncco1
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:
2.2
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