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205106-54-3 | Benzoic acid, 4-(2-bromoethoxy)-3-chloro-, methyl ester
CAS No: 205106-54-3 Catalog No: AG0029VM MDL No:MFCD20502028
Product Description
Catalog Number:
AG0029VM
Chemical Name:
Benzoic acid, 4-(2-bromoethoxy)-3-chloro-, methyl ester
CAS Number:
205106-54-3
Molecular Formula:
C10H10BrClO3
Molecular Weight:
293.5416
MDL Number:
MFCD20502028
IUPAC Name:
methyl 4-(2-bromoethoxy)-3-chlorobenzoate
InChI:
InChI=1S/C10H10BrClO3/c1-14-10(13)7-2-3-9(8(12)6-7)15-5-4-11/h2-3,6H,4-5H2,1H3
InChI Key:
KCXJTYFMIJPMIC-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1Cl)C(=O)OC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.541g/mol
Monoisotopic Mass:
291.95g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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