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29823-18-5 | Ethyl 7-bromoheptanoate
CAS No: 29823-18-5 Catalog No: AG003QDT MDL No:MFCD00037103
Product Description
Catalog Number:
AG003QDT
Chemical Name:
Ethyl 7-bromoheptanoate
CAS Number:
29823-18-5
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
MDL Number:
MFCD00037103
IUPAC Name:
ethyl 7-bromoheptanoate
InChI:
InChI=1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3
InChI Key:
OOBFNDGMAGSNKA-UHFFFAOYSA-N
SMILES:
BrCCCCCCC(=O)OCC
EC Number:
249-883-6
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.137g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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