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18800-29-8 | Benzene, 1-bromo-3-(2-bromoethoxy)-
CAS No: 18800-29-8 Catalog No: AG002GNI MDL No:MFCD03964543
Product Description
Catalog Number:
AG002GNI
Chemical Name:
Benzene, 1-bromo-3-(2-bromoethoxy)-
CAS Number:
18800-29-8
Molecular Formula:
C8H8Br2O
Molecular Weight:
279.9565
MDL Number:
MFCD03964543
IUPAC Name:
1-bromo-3-(2-bromoethoxy)benzene
InChI:
InChI=1S/C8H8Br2O/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2
InChI Key:
CKXSBCXRNZGJJN-UHFFFAOYSA-N
SMILES:
BrCCOc1cccc(c1)Br
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.892g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.959g/mol
Monoisotopic Mass:
277.894g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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