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129976-33-6 | Benzene, 1-bromo-2-methoxy-3-(1-methylethyl)-
CAS No: 129976-33-6 Catalog No: AG000TTO MDL No:
Product Description
Catalog Number:
AG000TTO
Chemical Name:
Benzene, 1-bromo-2-methoxy-3-(1-methylethyl)-
CAS Number:
129976-33-6
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
IUPAC Name:
1-bromo-2-methoxy-3-propan-2-ylbenzene
InChI:
InChI=1S/C10H13BrO/c1-7(2)8-5-4-6-9(11)10(8)12-3/h4-7H,1-3H3
InChI Key:
RMYVECCGQUCNMZ-UHFFFAOYSA-N
SMILES:
COc1c(Br)cccc1C(C)C
Properties
Complexity:
136
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:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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