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84333-02-8 | Benzaldehyde,4-(acetyloxy)-2-chloro-5-methoxy-
CAS No: 84333-02-8 Catalog No: AG00560T MDL No:
Product Description
Catalog Number:
AG00560T
Chemical Name:
Benzaldehyde,4-(acetyloxy)-2-chloro-5-methoxy-
CAS Number:
84333-02-8
Molecular Formula:
C10H9ClO4
Molecular Weight:
228.6291
IUPAC Name:
(5-chloro-4-formyl-2-methoxyphenyl) acetate
InChI:
InChI=1S/C10H9ClO4/c1-6(13)15-10-4-8(11)7(5-12)3-9(10)14-2/h3-5H,1-2H3
InChI Key:
PJHJFLMBMQJZSH-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1OC(=O)C)Cl
NSC Number:
95693
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.628g/mol
Monoisotopic Mass:
228.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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