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Home > Aldehydes > 885273-03-0
885273-03-0 | 2-(3-Bromophenyl)oxazole-4-carbaldehyde
CAS No: 885273-03-0 Catalog No: AG00472S MDL No:MFCD06738602
Product Description
Catalog Number:
AG00472S
Chemical Name:
2-(3-Bromophenyl)oxazole-4-carbaldehyde
CAS Number:
885273-03-0
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD06738602
IUPAC Name:
2-(3-bromophenyl)-1,3-oxazole-4-carbaldehyde
InChI:
InChI=1S/C10H6BrNO2/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-6H
InChI Key:
ZEOOGBFQVOYRRB-UHFFFAOYSA-N
SMILES:
O=Cc1coc(n1)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
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