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65868-63-5 | tert-butyl 6-bromohexanoate
CAS No: 65868-63-5 Catalog No: AG0038K0 MDL No:MFCD00457120
Product Description
Catalog Number:
AG0038K0
Chemical Name:
tert-butyl 6-bromohexanoate
CAS Number:
65868-63-5
Molecular Formula:
C10H19BrO2
Molecular Weight:
251.1607
MDL Number:
MFCD00457120
IUPAC Name:
tert-butyl 6-bromohexanoate
InChI:
InChI=1S/C10H19BrO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8H2,1-3H3
InChI Key:
PSELCIMQRLODQE-UHFFFAOYSA-N
SMILES:
BrCCCCCC(=O)OC(C)(C)C
Properties
Complexity:
150
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:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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