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2007-16-1 | 2-Propanol, 1-bromo-3-(1-naphthalenyloxy)-
CAS No: 2007-16-1 Catalog No: AG002CX4 MDL No:
Product Description
Catalog Number:
AG002CX4
Chemical Name:
2-Propanol, 1-bromo-3-(1-naphthalenyloxy)-
CAS Number:
2007-16-1
Molecular Formula:
C13H13BrO2
Molecular Weight:
281.1451
IUPAC Name:
1-bromo-3-naphthalen-1-yloxypropan-2-ol
InChI:
InChI=1S/C13H13BrO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9H2
InChI Key:
JDXFHGPXCUZGFN-UHFFFAOYSA-N
SMILES:
BrCC(COc1cccc2c1cccc2)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.149g/mol
Monoisotopic Mass:
280.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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