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123436-89-5 | Benzene, 1-(bromomethyl)-4-(dodecyloxy)-
CAS No: 123436-89-5 Catalog No: AG000KKG MDL No:
Product Description
Catalog Number:
AG000KKG
Chemical Name:
Benzene, 1-(bromomethyl)-4-(dodecyloxy)-
CAS Number:
123436-89-5
Molecular Formula:
C19H31BrO
Molecular Weight:
355.3528
IUPAC Name:
1-(bromomethyl)-4-dodecoxybenzene
InChI:
InChI=1S/C19H31BrO/c1-2-3-4-5-6-7-8-9-10-11-16-21-19-14-12-18(17-20)13-15-19/h12-15H,2-11,16-17H2,1H3
InChI Key:
LSPPDEISMYTMPG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)CBr
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.156g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.36g/mol
Monoisotopic Mass:
354.156g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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