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131452-78-3 | Benzene, 1-(2-bromopropyl)-3-methoxy-
CAS No: 131452-78-3 Catalog No: AG000W7V MDL No:MFCD02259766
Product Description
Catalog Number:
AG000W7V
Chemical Name:
Benzene, 1-(2-bromopropyl)-3-methoxy-
CAS Number:
131452-78-3
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD02259766
IUPAC Name:
1-(2-bromopropyl)-3-methoxybenzene
InChI:
InChI=1S/C10H13BrO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6H2,1-2H3
InChI Key:
AASYBPPOAOIQPL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(Br)C
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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