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26420-79-1 | Benzene, [(3-chloropropoxy)methyl]-
CAS No: 26420-79-1 Catalog No: AG002T4M MDL No:MFCD00028196
Product Description
Catalog Number:
AG002T4M
Chemical Name:
Benzene, [(3-chloropropoxy)methyl]-
CAS Number:
26420-79-1
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
MDL Number:
MFCD00028196
IUPAC Name:
3-chloropropoxymethylbenzene
InChI:
InChI=1S/C10H13ClO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
XYQPOKBAQDQMQP-UHFFFAOYSA-N
SMILES:
ClCCCOCc1ccccc1
NSC Number:
6169
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.663g/mol
Monoisotopic Mass:
184.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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