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165800-57-7 | Benzene, 1-bromo-3-butoxy-
CAS No: 165800-57-7 Catalog No: AG001WDD MDL No:MFCD11127631
Product Description
Catalog Number:
AG001WDD
Chemical Name:
Benzene, 1-bromo-3-butoxy-
CAS Number:
165800-57-7
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD11127631
IUPAC Name:
1-bromo-3-butoxybenzene
InChI:
InChI=1S/C10H13BrO/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8H,2-3,7H2,1H3
InChI Key:
ATFKAEIPFYHIRS-UHFFFAOYSA-N
SMILES:
CCCCOc1cccc(c1)Br
Properties
Complexity:
116
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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