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30752-23-9 | Benzene, 1-bromo-4-(2-methylpropoxy)-
CAS No: 30752-23-9 Catalog No: AG003160 MDL No:MFCD11127625
Product Description
Catalog Number:
AG003160
Chemical Name:
Benzene, 1-bromo-4-(2-methylpropoxy)-
CAS Number:
30752-23-9
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD11127625
IUPAC Name:
1-bromo-4-(2-methylpropoxy)benzene
InChI:
InChI=1S/C10H13BrO/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8H,7H2,1-2H3
InChI Key:
FMAIALVMJJUXSB-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1)Br)C
Properties
Complexity:
117
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:
3.9
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