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116163-98-5 | Benzene, 2-bromo-1,4-dibutoxy-
CAS No: 116163-98-5 Catalog No: AG000BS9 MDL No:
Product Description
Catalog Number:
AG000BS9
Chemical Name:
Benzene, 2-bromo-1,4-dibutoxy-
CAS Number:
116163-98-5
Molecular Formula:
C14H21BrO2
Molecular Weight:
301.2193
IUPAC Name:
2-bromo-1,4-dibutoxybenzene
InChI:
InChI=1S/C14H21BrO2/c1-3-5-9-16-12-7-8-14(13(15)11-12)17-10-6-4-2/h7-8,11H,3-6,9-10H2,1-2H3
InChI Key:
PEHIGRGBDNMEKW-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)Br)OCCCC
Properties
Complexity:
187
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:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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