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1379311-87-1 | 3-(3-Chloro-4-n-propoxyphenyl)-1-propene
CAS No: 1379311-87-1 Catalog No: AG01FBZV MDL No:
Product Description
Catalog Number:
AG01FBZV
Chemical Name:
3-(3-Chloro-4-n-propoxyphenyl)-1-propene
CAS Number:
1379311-87-1
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
IUPAC Name:
2-chloro-4-prop-2-enyl-1-propoxybenzene
InChI:
InChI=1S/C12H15ClO/c1-3-5-10-6-7-12(11(13)9-10)14-8-4-2/h3,6-7,9H,1,4-5,8H2,2H3
InChI Key:
ONDRNVGOMQLYGG-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1Cl)CC=C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.701g/mol
Monoisotopic Mass:
210.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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