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2173-57-1,MFCD00046467
Catalog No.:AA003HEB
2173-57-1 | 2-Isobutoxynaphthalene
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5g
98%
1 week  
$65.00
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25g
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$90.00
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Technical Information
Catalog Number:
AA003HEB
Chemical Name:
2-Isobutoxynaphthalene
CAS Number:
2173-57-1
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
MDL Number:
MFCD00046467
IUPAC Name:
2-(2-methylpropoxy)naphthalene
InChI:
InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
InChI Key:
XOHIHZHSDMWWMS-UHFFFAOYSA-N
SMILES:
CC(COc1ccc2c(c1)cccc2)C
EC Number:
218-529-2
UNII:
KX47O2O15C
FEMA Number:
3719
Properties
Computed Properties
 
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Synonyms
 
2-Isobutoxynaphthalene 
2173-57-1 
Isobutyl beta-naphthyl ether 
FRAGAROLE 
Naphthalene, 2-isobutoxy- 
ETHER, ISOBUTYL(2-NAPHTHYL) 
isobutoxynaphthalene 
fema 3719 
Naphthalene, 2-isobutoxy- (7CI,8CI) 
UNII-KX47O2O15C 
FEMA No. 3719 
KX47O2O15C 
Nerolin fragarol 
EINECS 218-529-2 
BRN 3242529 
2-Naphthylisobutylether 
2-Isobutoxy-Naphthalene 
naphthalene, 2-isobutoxy 
ACMC-1CEH9 
beta-napthyl isobutyl ether 
beta naphthyl isobutyl ether 
SCHEMBL114254 
AC1L289C 
Isobutyl 2-naphthyl ether 
DTXSID1051484 
B-NAPHTHYL ISOBUTYL ETHER 
CTK8B1202 
2-(2-Methylpropoxy)-Naphthalene 
XOHIHZHSDMWWMS-UHFFFAOYSA-N 
KS-000014GI 
ZINC2038824 
1040AB 
ANW-24559 
MFCD00046467 
2-(2-Methylpropoxy)naphthalene 
AKOS016010535 
ACN-051069 
LS-2975 
AJ-33127 
AN-20743 
CJ-32183 
AX8076078 
DB-045679 
ST2416993 
TC-113304 
Fragarol 
FT-0634091 
N0433 
3-06-00-02973 (Beilstein Handbook Reference) 
C-49337 
I14-60422 
C14H16O 
CID16582 
2-Naphthyl isobutyl ether 
beta-Naphthyl isobutyl ether 
Naphthalene, 2-(2-methylpropoxy)- 
beta-Naphthol isobutyl ether 
Literature
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