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Home > Aldehydes > 944907-38-4
944907-38-4 | 5-bromo-1,3-benzoxazole-2-carbaldehyde
CAS No: 944907-38-4 Catalog No: AG01C3ME MDL No:MFCD09027520
Product Description
Catalog Number:
AG01C3ME
Chemical Name:
5-bromo-1,3-benzoxazole-2-carbaldehyde
CAS Number:
944907-38-4
Molecular Formula:
C8H4BrNO2
Molecular Weight:
226.0269
MDL Number:
MFCD09027520
IUPAC Name:
5-bromo-1,3-benzoxazole-2-carbaldehyde
InChI:
InChI=1S/C8H4BrNO2/c9-5-1-2-7-6(3-5)10-8(4-11)12-7/h1-4H
InChI Key:
DLZGRSOMDWLGFW-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(o1)ccc(c2)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.943g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.029g/mol
Monoisotopic Mass:
224.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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