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Home > Bromides > 1249778-78-6
1249778-78-6 | 1-Bromo-3-[(n-butyloxy)methyl]benzene
CAS No: 1249778-78-6 Catalog No: AG01ER9B MDL No:
Product Description
Catalog Number:
AG01ER9B
Chemical Name:
1-Bromo-3-[(n-butyloxy)methyl]benzene
CAS Number:
1249778-78-6
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
1-bromo-3-(butoxymethyl)benzene
InChI:
InChI=1S/C11H15BrO/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8H,2-3,7,9H2,1H3
InChI Key:
PKESDANZNTVKJX-UHFFFAOYSA-N
SMILES:
CCCCOCc1cccc(c1)Br
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:
3.8
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