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Home Halogens Naphthalene,1-(chloromethyl)-2-methyl-

Naphthalene,1-(chloromethyl)-2-methyl-

CAS No.:
6626-23-9
Catalog Number:
AG006OKF
Molecular Formula:
C12H11Cl
Molecular Weight:
190.6687
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Product Description
Catalog Number:
AG006OKF
Chemical Name:
Naphthalene,1-(chloromethyl)-2-methyl-
CAS Number:
6626-23-9
Molecular Formula:
C12H11Cl
Molecular Weight:
190.6687
MDL Number:
MFCD00004043
IUPAC Name:
1-(chloromethyl)-2-methylnaphthalene
InChI:
InChI=1S/C12H11Cl/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13/h2-7H,8H2,1H3
InChI Key:
STBYRSZXHDPASK-UHFFFAOYSA-N
SMILES:
ClCc1c(C)ccc2c1cccc2
EC Number:
229-587-3
NSC Number:
59830
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.055g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.67g/mol
Monoisotopic Mass:
190.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Molecular structure, polarizability, hyperpolarizability analysis and spectroscopic characterization of 1-(chloromethyl)-2-methylnaphthalene with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120101
Properties