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832734-28-8 | 2-Undecenoic acid, 3-bromo-, 1-methylethyl ester, (2Z)-
CAS No: 832734-28-8 Catalog No: AG004XVL MDL No:
Product Description
Catalog Number:
AG004XVL
Chemical Name:
2-Undecenoic acid, 3-bromo-, 1-methylethyl ester, (2Z)-
CAS Number:
832734-28-8
Molecular Formula:
C14H25BrO2
Molecular Weight:
305.2511
IUPAC Name:
propan-2-yl 3-bromoundec-2-enoate
InChI:
InChI=1S/C14H25BrO2/c1-4-5-6-7-8-9-10-13(15)11-14(16)17-12(2)3/h11-12H,4-10H2,1-3H3
InChI Key:
SIGXRNGLWAYPLW-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C(=C/C(=O)OC(C)C)/Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.256g/mol
Monoisotopic Mass:
304.104g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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