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1269411-37-1 | Benzenemethanol, 2-bromo-3-(1,3-dioxolan-2-yl)-α,α-dimethyl-
CAS No: 1269411-37-1 Catalog No: AG000WFG MDL No:
Product Description
Catalog Number:
AG000WFG
Chemical Name:
Benzenemethanol, 2-bromo-3-(1,3-dioxolan-2-yl)-α,α-dimethyl-
CAS Number:
1269411-37-1
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
IUPAC Name:
2-[2-bromo-3-(1,3-dioxolan-2-yl)phenyl]propan-2-ol
InChI:
InChI=1S/C12H15BrO3/c1-12(2,14)9-5-3-4-8(10(9)13)11-15-6-7-16-11/h3-5,11,14H,6-7H2,1-2H3
InChI Key:
RHISAPINSONVDH-UHFFFAOYSA-N
SMILES:
Brc1c(cccc1C(O)(C)C)C1OCCO1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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