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76202-95-4 | 2-Propenoic acid, 3-(2,4-dichlorophenyl)-2-isocyano-, methyl ester, (Z)-
CAS No: 76202-95-4 Catalog No: AG00577O MDL No:
Product Description
Catalog Number:
AG00577O
Chemical Name:
2-Propenoic acid, 3-(2,4-dichlorophenyl)-2-isocyano-, methyl ester, (Z)-
CAS Number:
76202-95-4
Molecular Formula:
C11H7Cl2NO2
Molecular Weight:
256.0848
IUPAC Name:
methyl 3-(2,4-dichlorophenyl)-2-isocyanoprop-2-enoate
InChI:
InChI=1S/C11H7Cl2NO2/c1-14-10(11(15)16-2)5-7-3-4-8(12)6-9(7)13/h3-6H,2H3
InChI Key:
SZGMKHQYIJUTHT-UHFFFAOYSA-N
SMILES:
[C-]#[N+]/C(=C\c1ccc(cc1Cl)Cl)/C(=O)OC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.082g/mol
Monoisotopic Mass:
254.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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