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24591-33-1 | Benzene, 4-bromo-1-methoxy-2-(1-methylethyl)-
CAS No: 24591-33-1 Catalog No: AG002OPB MDL No:MFCD11846382
Product Description
Catalog Number:
AG002OPB
Chemical Name:
Benzene, 4-bromo-1-methoxy-2-(1-methylethyl)-
CAS Number:
24591-33-1
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD11846382
IUPAC Name:
4-bromo-1-methoxy-2-propan-2-ylbenzene
InChI:
InChI=1S/C10H13BrO/c1-7(2)9-6-8(11)4-5-10(9)12-3/h4-7H,1-3H3
InChI Key:
CFNMTRKNNCKHBM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(C)C)Br
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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