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121980-73-2 | Heptanoic acid, 3,7-dibromo-
CAS No: 121980-73-2 Catalog No: AG0016I1 MDL No:
Product Description
Catalog Number:
AG0016I1
Chemical Name:
Heptanoic acid, 3,7-dibromo-
CAS Number:
121980-73-2
Molecular Formula:
C7H12Br2O2
Molecular Weight:
287.9770
IUPAC Name:
3,7-dibromoheptanoic acid
InChI:
InChI=1S/C7H12Br2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5H2,(H,10,11)
InChI Key:
FQCHBIVZWCAAHC-UHFFFAOYSA-N
SMILES:
BrCCCCC(CC(=O)O)Br
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.918g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.979g/mol
Monoisotopic Mass:
285.92g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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