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Home > Bromides > 1133116-39-8
1133116-39-8 | 1-Bromo-2-methyl-4-propoxybenzene
CAS No: 1133116-39-8 Catalog No: AG003E3D MDL No:MFCD11855957
Product Description
Catalog Number:
AG003E3D
Chemical Name:
1-Bromo-2-methyl-4-propoxybenzene
CAS Number:
1133116-39-8
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD11855957
IUPAC Name:
1-bromo-2-methyl-4-propoxybenzene
InChI:
InChI=1S/C10H13BrO/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7H,3,6H2,1-2H3
InChI Key:
OVTXNCOKSQVUIW-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)C)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:
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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