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168196-99-4 | Benzene, 5-bromo-2-(methoxymethoxy)-1,3-bis(1-methylethyl)-
CAS No: 168196-99-4 Catalog No: AG001XW8 MDL No:
Product Description
Catalog Number:
AG001XW8
Chemical Name:
Benzene, 5-bromo-2-(methoxymethoxy)-1,3-bis(1-methylethyl)-
CAS Number:
168196-99-4
Molecular Formula:
C14H21BrO2
Molecular Weight:
301.2193
IUPAC Name:
5-bromo-2-(methoxymethoxy)-1,3-di(propan-2-yl)benzene
InChI:
InChI=1S/C14H21BrO2/c1-9(2)12-6-11(15)7-13(10(3)4)14(12)17-8-16-5/h6-7,9-10H,8H2,1-5H3
InChI Key:
ASBGHBBLBZXHMQ-UHFFFAOYSA-N
SMILES:
COCOc1c(cc(cc1C(C)C)Br)C(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.224g/mol
Monoisotopic Mass:
300.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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