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1450-81-3 | Pentanoic acid, 2,5-dibromo-
CAS No: 1450-81-3 Catalog No: AG001KG8 MDL No:MFCD03425890
Product Description
Catalog Number:
AG001KG8
Chemical Name:
Pentanoic acid, 2,5-dibromo-
CAS Number:
1450-81-3
Molecular Formula:
C5H8Br2O2
Molecular Weight:
259.9238
MDL Number:
MFCD03425890
IUPAC Name:
2,5-dibromopentanoic acid
InChI:
InChI=1S/C5H8Br2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3H2,(H,8,9)
InChI Key:
JDAVNLLRFXIKKD-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCCBr)Br
EC Number:
604-458-8
Properties
Complexity:
95
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.887g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.925g/mol
Monoisotopic Mass:
257.889g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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