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131860-97-4 | Benzeneacetic acid, 2-[(6-chloro-4-pyrimidinyl)oxy]-α-(methoxymethylene)-, methyl ester, (αE)-
CAS No: 131860-97-4 Catalog No: AG000ZU1 MDL No:MFCD13194671
Product Description
Catalog Number:
AG000ZU1
Chemical Name:
Benzeneacetic acid, 2-[(6-chloro-4-pyrimidinyl)oxy]-α-(methoxymethylene)-, methyl ester, (αE)-
CAS Number:
131860-97-4
Molecular Formula:
C15H13ClN2O4
Molecular Weight:
320.7277
MDL Number:
MFCD13194671
IUPAC Name:
methyl (E)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3-methoxyprop-2-enoate
InChI:
InChI=1S/C15H13ClN2O4/c1-20-8-11(15(19)21-2)10-5-3-4-6-12(10)22-14-7-13(16)17-9-18-14/h3-9H,1-2H3/b11-8+
InChI Key:
YRYZZSRRDCTETP-DHZHZOJOSA-N
SMILES:
CO/C=C(\c1ccccc1Oc1ncnc(c1)Cl)/C(=O)OC
EC Number:
603-525-9
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
320.056g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.729g/mol
Monoisotopic Mass:
320.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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