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18800-35-6 | Benzene, 1-(2-bromoethoxy)-2,4-dimethyl-
CAS No: 18800-35-6 Catalog No: AG002GND MDL No:MFCD02030842
Product Description
Catalog Number:
AG002GND
Chemical Name:
Benzene, 1-(2-bromoethoxy)-2,4-dimethyl-
CAS Number:
18800-35-6
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD02030842
IUPAC Name:
1-(2-bromoethoxy)-2,4-dimethylbenzene
InChI:
InChI=1S/C10H13BrO/c1-8-3-4-10(9(2)7-8)12-6-5-11/h3-4,7H,5-6H2,1-2H3
InChI Key:
XFABTWHRMOSZRA-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1C)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.117g/mol
Monoisotopic Mass:
228.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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