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128055-30-1 | 2-Propenoic acid, 2-methyl-, 8-bromooctyl ester
CAS No: 128055-30-1 Catalog No: AG000XQL MDL No:
Product Description
Catalog Number:
AG000XQL
Chemical Name:
2-Propenoic acid, 2-methyl-, 8-bromooctyl ester
CAS Number:
128055-30-1
Molecular Formula:
C12H21BrO2
Molecular Weight:
277.1979
IUPAC Name:
8-bromooctyl 2-methylprop-2-enoate
InChI:
InChI=1S/C12H21BrO2/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h1,3-10H2,2H3
InChI Key:
USBNITSVNXBKQS-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCOC(=O)C(=C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.202g/mol
Monoisotopic Mass:
276.072g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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