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189046-46-6 | Carbonic acid, 1-(4-bromophenyl)-3-buten-1-yl methyl ester
CAS No: 189046-46-6 Catalog No: AG002HRR MDL No:
Product Description
Catalog Number:
AG002HRR
Chemical Name:
Carbonic acid, 1-(4-bromophenyl)-3-buten-1-yl methyl ester
CAS Number:
189046-46-6
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
IUPAC Name:
1-(4-bromophenyl)but-3-enyl methyl carbonate
InChI:
InChI=1S/C12H13BrO3/c1-3-4-11(16-12(14)15-2)9-5-7-10(13)8-6-9/h3,5-8,11H,1,4H2,2H3
InChI Key:
LVWCPTZBAZBMQV-UHFFFAOYSA-N
SMILES:
COC(=O)OC(c1ccc(cc1)Br)CC=C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.137g/mol
Monoisotopic Mass:
284.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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