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163260-76-2 | Benzene, 4-bromo-2-(2-bromoethyl)-1-methoxy-
CAS No: 163260-76-2 Catalog No: AG001TXW MDL No:
Product Description
Catalog Number:
AG001TXW
Chemical Name:
Benzene, 4-bromo-2-(2-bromoethyl)-1-methoxy-
CAS Number:
163260-76-2
Molecular Formula:
C9H10Br2O
Molecular Weight:
293.9831
IUPAC Name:
4-bromo-2-(2-bromoethyl)-1-methoxybenzene
InChI:
InChI=1S/C9H10Br2O/c1-12-9-3-2-8(11)6-7(9)4-5-10/h2-3,6H,4-5H2,1H3
InChI Key:
XKBHMPMRWHCKGB-UHFFFAOYSA-N
SMILES:
BrCCc1cc(Br)ccc1OC
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.908g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.986g/mol
Monoisotopic Mass:
291.91g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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