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85153-61-3 | PHENYL 2-CHLOROACETOACETATE
CAS No: 85153-61-3 Catalog No: AG004WSN MDL No:
Product Description
Catalog Number:
AG004WSN
Chemical Name:
PHENYL 2-CHLOROACETOACETATE
CAS Number:
85153-61-3
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
IUPAC Name:
phenyl 2-chloro-3-oxobutanoate
InChI:
InChI=1S/C10H9ClO3/c1-7(12)9(11)10(13)14-8-5-3-2-4-6-8/h2-6,9H,1H3
InChI Key:
ZKORLCBXGZWQFS-UHFFFAOYSA-N
SMILES:
ClC(C(=O)Oc1ccccc1)C(=O)C
EC Number:
285-843-4
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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