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Home > Bromides > 1269411-36-0
1269411-36-0 | Benzoic acid, 2-bromo-3-(1,3-dioxolan-2-yl)-, methyl ester
CAS No: 1269411-36-0 Catalog No: AG000WFH MDL No:MFCD18206368
Product Description
Catalog Number:
AG000WFH
Chemical Name:
Benzoic acid, 2-bromo-3-(1,3-dioxolan-2-yl)-, methyl ester
CAS Number:
1269411-36-0
Molecular Formula:
C11H11BrO4
Molecular Weight:
287.1066
MDL Number:
MFCD18206368
IUPAC Name:
methyl 2-bromo-3-(1,3-dioxolan-2-yl)benzoate
InChI:
InChI=1S/C11H11BrO4/c1-14-10(13)7-3-2-4-8(9(7)12)11-15-5-6-16-11/h2-4,11H,5-6H2,1H3
InChI Key:
CTXLFGPNLCXNHE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1Br)C1OCCO1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.109g/mol
Monoisotopic Mass:
285.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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