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Home > Aldehydes > 1602211-57-3
1602211-57-3 | 4-bromooxane-4-carbaldehyde
CAS No: 1602211-57-3 Catalog No: AG01AFEG MDL No:MFCD26936304
Product Description
Catalog Number:
AG01AFEG
Chemical Name:
4-bromooxane-4-carbaldehyde
CAS Number:
1602211-57-3
Molecular Formula:
C6H9BrO2
Molecular Weight:
193.0385
MDL Number:
MFCD26936304
IUPAC Name:
4-bromooxane-4-carbaldehyde
InChI:
InChI=1S/C6H9BrO2/c7-6(5-8)1-3-9-4-2-6/h5H,1-4H2
InChI Key:
WMOQFQCFVVKLEB-UHFFFAOYSA-N
SMILES:
O=CC1(Br)CCOCC1
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.979g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.04g/mol
Monoisotopic Mass:
191.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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