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640292-04-2 | 5-(4-Bromophenyl);isoxazole-3-carbaldehyde
CAS No: 640292-04-2 Catalog No: AG003M58 MDL No:MFCD06199346
Product Description
Catalog Number:
AG003M58
Chemical Name:
5-(4-Bromophenyl);isoxazole-3-carbaldehyde
CAS Number:
640292-04-2
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD06199346
IUPAC Name:
5-(4-bromophenyl)-1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C10H6BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)12-14-10/h1-6H
InChI Key:
GXLXRMHJLMLRLG-UHFFFAOYSA-N
SMILES:
O=Cc1noc(c1)c1ccc(cc1)Br
Properties
Complexity:
204
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:
3.1
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