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864389-77-5 | 1-(3-Bromo-propoxy)-2,3-dimethyl-benzene
CAS No: 864389-77-5 Catalog No: AG01EXWS MDL No:
Product Description
Catalog Number:
AG01EXWS
Chemical Name:
1-(3-Bromo-propoxy)-2,3-dimethyl-benzene
CAS Number:
864389-77-5
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
1-(3-bromopropoxy)-2,3-dimethylbenzene
InChI:
InChI=1S/C11H15BrO/c1-9-5-3-6-11(10(9)2)13-8-4-7-12/h3,5-6H,4,7-8H2,1-2H3
InChI Key:
WQJLOZXIOCMMJX-UHFFFAOYSA-N
SMILES:
Cc1c(OCCCBr)cccc1C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.144g/mol
Monoisotopic Mass:
242.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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