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Home > Bromides > 1217366-74-9
1217366-74-9 | Benzonitrile, 4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-
CAS No: 1217366-74-9 Catalog No: AG0015N6 MDL No:MFCD28134561
Product Description
Catalog Number:
AG0015N6
Chemical Name:
Benzonitrile, 4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-
CAS Number:
1217366-74-9
Molecular Formula:
C16H12BrNO3
Molecular Weight:
346.1754
MDL Number:
MFCD28134561
IUPAC Name:
4-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile
InChI:
InChI=1S/C16H12BrNO3/c17-15-6-5-13(9-14(15)16-19-7-8-20-16)21-12-3-1-11(10-18)2-4-12/h1-6,9,16H,7-8H2
InChI Key:
LYBDMDIHPQNASE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccc(c(c1)C1OCCO1)Br
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.18g/mol
Monoisotopic Mass:
345g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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