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162691-17-0 | Benzoic acid, 3-methoxy-, chloromethyl ester
CAS No: 162691-17-0 Catalog No: AG001TC7 MDL No:
Product Description
Catalog Number:
AG001TC7
Chemical Name:
Benzoic acid, 3-methoxy-, chloromethyl ester
CAS Number:
162691-17-0
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
IUPAC Name:
chloromethyl 3-methoxybenzoate
InChI:
InChI=1S/C9H9ClO3/c1-12-8-4-2-3-7(5-8)9(11)13-6-10/h2-5H,6H2,1H3
InChI Key:
CGNCPSUUGMTCBR-UHFFFAOYSA-N
SMILES:
ClCOC(=O)c1cccc(c1)OC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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