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287954-84-1 | 1-Bromo-4-n-butyloxy-3-methylbenzene
CAS No: 287954-84-1 Catalog No: AG01EUON MDL No:
Product Description
Catalog Number:
AG01EUON
Chemical Name:
1-Bromo-4-n-butyloxy-3-methylbenzene
CAS Number:
287954-84-1
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
4-bromo-1-butoxy-2-methylbenzene
InChI:
InChI=1S/C11H15BrO/c1-3-4-7-13-11-6-5-10(12)8-9(11)2/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
MWLIUBVFDPEBHV-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1C)Br
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:
4.2
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