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173550-97-5 | 1,4-Benzenedicarboxylic acid, 1-(2-bromoethyl) ester
CAS No: 173550-97-5 Catalog No: AG001Z0J MDL No:
Product Description
Catalog Number:
AG001Z0J
Chemical Name:
1,4-Benzenedicarboxylic acid, 1-(2-bromoethyl) ester
CAS Number:
173550-97-5
Molecular Formula:
C10H8BrO4-
Molecular Weight:
272.0721
IUPAC Name:
4-(2-bromoethoxycarbonyl)benzoic acid
InChI:
InChI=1S/C10H9BrO4/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4H,5-6H2,(H,12,13)
InChI Key:
SQFCKVQQFAJQCM-UHFFFAOYSA-N
SMILES:
BrCCOC(=O)c1ccc(cc1)C(=O)[O-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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