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2033-82-1 | Benzene, 1-(4-bromobutoxy)-2-methyl-
CAS No: 2033-82-1 Catalog No: AG0028SS MDL No:
Product Description
Catalog Number:
AG0028SS
Chemical Name:
Benzene, 1-(4-bromobutoxy)-2-methyl-
CAS Number:
2033-82-1
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
1-(4-bromobutoxy)-2-methylbenzene
InChI:
InChI=1S/C11H15BrO/c1-10-6-2-3-7-11(10)13-9-5-4-8-12/h2-3,6-7H,4-5,8-9H2,1H3
InChI Key:
CHHNKCNFDJFXSP-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccccc1C
Properties
Complexity:
127
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:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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