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138511-47-4 | Ethanol, 2-(dibromomethylphenoxy)- (9CI)
CAS No: 138511-47-4 Catalog No: AG0019CW MDL No:
Product Description
Catalog Number:
AG0019CW
Chemical Name:
Ethanol, 2-(dibromomethylphenoxy)- (9CI)
CAS Number:
138511-47-4
Molecular Formula:
C9H10Br2O2
Molecular Weight:
309.9825
IUPAC Name:
2-[2-(dibromomethyl)phenoxy]ethanol
InChI:
InChI=1S/C9H10Br2O2/c10-9(11)7-3-1-2-4-8(7)13-6-5-12/h1-4,9,12H,5-6H2
InChI Key:
DCUSXEITSANUMO-UHFFFAOYSA-N
SMILES:
OCCOc1ccccc1C(Br)Br
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.903g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.985g/mol
Monoisotopic Mass:
307.905g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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