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119027-36-0 | Benzene, 1-bromo-4-(1-methoxy-1-methylethyl)-
CAS No: 119027-36-0 Catalog No: AG000P3L MDL No:MFCD18205636
Product Description
Catalog Number:
AG000P3L
Chemical Name:
Benzene, 1-bromo-4-(1-methoxy-1-methylethyl)-
CAS Number:
119027-36-0
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD18205636
IUPAC Name:
1-bromo-4-(2-methoxypropan-2-yl)benzene
InChI:
InChI=1S/C10H13BrO/c1-10(2,12-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChI Key:
SVSUUYAOGAZDBT-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)Br)(C)C
Properties
Complexity:
137
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:
2.9
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