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113791-81-4 | 1,2-Propanediol, 3-[(bromo-1-naphthalenyl)oxy]- (9CI)
CAS No: 113791-81-4 Catalog No: AG0009OK MDL No:
Product Description
Catalog Number:
AG0009OK
Chemical Name:
1,2-Propanediol, 3-[(bromo-1-naphthalenyl)oxy]- (9CI)
CAS Number:
113791-81-4
Molecular Formula:
C13H13BrO3
Molecular Weight:
297.1445
IUPAC Name:
3-(2-bromonaphthalen-1-yl)oxypropane-1,2-diol
InChI:
InChI=1S/C13H13BrO3/c14-12-6-5-9-3-1-2-4-11(9)13(12)17-8-10(16)7-15/h1-6,10,15-16H,7-8H2
InChI Key:
GOYJSVSRVNRTAF-UHFFFAOYSA-N
SMILES:
OCC(COc1c(Br)ccc2c1cccc2)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.148g/mol
Monoisotopic Mass:
296.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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