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13931-40-3 | Pentanoic acid, 5-bromo-, 3-methylbutyl ester
CAS No: 13931-40-3 Catalog No: AG001AQH MDL No:
Product Description
Catalog Number:
AG001AQH
Chemical Name:
Pentanoic acid, 5-bromo-, 3-methylbutyl ester
CAS Number:
13931-40-3
Molecular Formula:
C10H19BrO2
Molecular Weight:
251.1607
IUPAC Name:
3-methylbutyl 5-bromopentanoate
InChI:
InChI=1S/C10H19BrO2/c1-9(2)6-8-13-10(12)5-3-4-7-11/h9H,3-8H2,1-2H3
InChI Key:
GNSOBAMAWLMBTF-UHFFFAOYSA-N
SMILES:
BrCCCCC(=O)OCCC(C)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.164g/mol
Monoisotopic Mass:
250.057g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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