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102574-99-2 | 2-Heptenoic acid, 2-bromo-, ethyl ester, (2Z)-
CAS No: 102574-99-2 Catalog No: AG0007T6 MDL No:
Product Description
Catalog Number:
AG0007T6
Chemical Name:
2-Heptenoic acid, 2-bromo-, ethyl ester, (2Z)-
CAS Number:
102574-99-2
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
IUPAC Name:
ethyl 2-bromohept-2-enoate
InChI:
InChI=1S/C9H15BrO2/c1-3-5-6-7-8(10)9(11)12-4-2/h7H,3-6H2,1-2H3
InChI Key:
YFBJSVBRSPBKKD-UHFFFAOYSA-N
SMILES:
CCCC/C=C(/C(=O)OCC)\Br
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.121g/mol
Monoisotopic Mass:
234.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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