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1191-30-6 | Pentanal, 5-bromo-
CAS No: 1191-30-6 Catalog No: AG000I6P MDL No:
Product Description
Catalog Number:
AG000I6P
Chemical Name:
Pentanal, 5-bromo-
CAS Number:
1191-30-6
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
IUPAC Name:
5-bromopentanal
InChI:
InChI=1S/C5H9BrO/c6-4-2-1-3-5-7/h5H,1-4H2
InChI Key:
LEJSXHLXJUILMI-UHFFFAOYSA-N
SMILES:
BrCCCCC=O
Properties
Complexity:
45.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.984g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.03g/mol
Monoisotopic Mass:
163.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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