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139519-84-9 | Acetic acid, 2-[2,3-dichloro-4-(3-ethyl-1H-pyrrol-2-yl)phenoxy]-
CAS No: 139519-84-9 Catalog No: AG001B6W MDL No:
Product Description
Catalog Number:
AG001B6W
Chemical Name:
Acetic acid, 2-[2,3-dichloro-4-(3-ethyl-1H-pyrrol-2-yl)phenoxy]-
CAS Number:
139519-84-9
Molecular Formula:
C14H13Cl2NO3
Molecular Weight:
314.1639
IUPAC Name:
2-[2,3-dichloro-4-(3-ethyl-1H-pyrrol-2-yl)phenoxy]acetic acid
InChI:
InChI=1S/C14H13Cl2NO3/c1-2-8-5-6-17-14(8)9-3-4-10(13(16)12(9)15)20-7-11(18)19/h3-6,17H,2,7H2,1H3,(H,18,19)
InChI Key:
VSZIYBAYBOUSJK-UHFFFAOYSA-N
SMILES:
CCc1cc[nH]c1c1ccc(c(c1Cl)Cl)OCC(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.027g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.162g/mol
Monoisotopic Mass:
313.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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