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51100-47-1 | 7-Bromo-heptanoic acid tert-butyl ester
CAS No: 51100-47-1 Catalog No: AG01FCGZ MDL No:
Product Description
Catalog Number:
AG01FCGZ
Chemical Name:
7-Bromo-heptanoic acid tert-butyl ester
CAS Number:
51100-47-1
Molecular Formula:
C11H21BrO2
Molecular Weight:
265.1872
IUPAC Name:
tert-butyl 7-bromoheptanoate
InChI:
InChI=1S/C11H21BrO2/c1-11(2,3)14-10(13)8-6-4-5-7-9-12/h4-9H2,1-3H3
InChI Key:
XZMQZUGTGFBLIP-UHFFFAOYSA-N
SMILES:
BrCCCCCCC(=O)OC(C)(C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.191g/mol
Monoisotopic Mass:
264.072g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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