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750647-39-3 | 2-Butenoyl chloride, 3-(4-chlorophenyl)-, (2E)-
CAS No: 750647-39-3 Catalog No: AG005ELC MDL No:
Product Description
Catalog Number:
AG005ELC
Chemical Name:
2-Butenoyl chloride, 3-(4-chlorophenyl)-, (2E)-
CAS Number:
750647-39-3
Molecular Formula:
C10H8Cl2O
Molecular Weight:
215.0759
IUPAC Name:
3-(4-chlorophenyl)but-2-enoyl chloride
InChI:
InChI=1S/C10H8Cl2O/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6H,1H3
InChI Key:
XKJFKDZKLKBXDD-UHFFFAOYSA-N
SMILES:
ClC(=O)/C=C(/c1ccc(cc1)Cl)\C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.073g/mol
Monoisotopic Mass:
213.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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