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10172-26-6 | 1-Naphthaleneacetic acid, 2-chloroethyl ester
CAS No: 10172-26-6 Catalog No: AG0005BE MDL No:
Product Description
Catalog Number:
AG0005BE
Chemical Name:
1-Naphthaleneacetic acid, 2-chloroethyl ester
CAS Number:
10172-26-6
Molecular Formula:
C14H13ClO2
Molecular Weight:
248.7048
IUPAC Name:
2-chloroethyl 2-naphthalen-1-ylacetate
InChI:
InChI=1S/C14H13ClO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChI Key:
ALLDSFKMNAEFNT-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)Cc1cccc2c1cccc2
NSC Number:
44531
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.706g/mol
Monoisotopic Mass:
248.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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