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16486-84-3 | Heptanal, 2-bromo-
CAS No: 16486-84-3 Catalog No: AG001V42 MDL No:
Product Description
Catalog Number:
AG001V42
Chemical Name:
Heptanal, 2-bromo-
CAS Number:
16486-84-3
Molecular Formula:
C7H13BrO
Molecular Weight:
193.0815
IUPAC Name:
2-bromoheptanal
InChI:
InChI=1S/C7H13BrO/c1-2-3-4-5-7(8)6-9/h6-7H,2-5H2,1H3
InChI Key:
ZEPXAFZTJPAGHT-UHFFFAOYSA-N
SMILES:
CCCCCC(C=O)Br
Properties
Complexity:
73.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.084g/mol
Monoisotopic Mass:
192.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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