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60876-70-2 | 1-Bromo-4-(tert-butoxy)benzene
CAS No: 60876-70-2 Catalog No: AG003E4L MDL No:MFCD00792676
Product Description
Catalog Number:
AG003E4L
Chemical Name:
1-Bromo-4-(tert-butoxy)benzene
CAS Number:
60876-70-2
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD00792676
IUPAC Name:
1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene
InChI:
InChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
InChI Key:
QIWQHUCUWNGYDZ-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)Br)(C)C
Properties
Complexity:
131
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:
3.6
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