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113023-73-7 | 4-(1-Bromoethyl);benzoic acid
CAS No: 113023-73-7 Catalog No: AG003JXZ MDL No:
Product Description
Catalog Number:
AG003JXZ
Chemical Name:
4-(1-Bromoethyl);benzoic acid
CAS Number:
113023-73-7
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
IUPAC Name:
4-(1-bromoethyl)benzoic acid
InChI:
InChI=1S/C9H9BrO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)
InChI Key:
VICCYULHZWEWMB-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(=O)O)Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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