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80336-63-6 | 1,3-Dioxolane, 2-(1-bromoethyl)-2-[4-(2-methylpropyl)phenyl]-
CAS No: 80336-63-6 Catalog No: AG0053NG MDL No:
Product Description
Catalog Number:
AG0053NG
Chemical Name:
1,3-Dioxolane, 2-(1-bromoethyl)-2-[4-(2-methylpropyl)phenyl]-
CAS Number:
80336-63-6
Molecular Formula:
C15H21BrO2
Molecular Weight:
313.2300
IUPAC Name:
2-(1-bromoethyl)-2-[4-(2-methylpropyl)phenyl]-1,3-dioxolane
InChI:
InChI=1S/C15H21BrO2/c1-11(2)10-13-4-6-14(7-5-13)15(12(3)16)17-8-9-18-15/h4-7,11-12H,8-10H2,1-3H3
InChI Key:
QQQXFZIAUWHPSK-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C1(OCCO1)C(Br)C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.235g/mol
Monoisotopic Mass:
312.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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