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126543-40-6 | Benzoic acid, 2-[(phenylmethyl)seleno]-
CAS No: 126543-40-6 Catalog No: AG000SXL MDL No:
Product Description
Catalog Number:
AG000SXL
Chemical Name:
Benzoic acid, 2-[(phenylmethyl)seleno]-
CAS Number:
126543-40-6
Molecular Formula:
C14H12O2Se
Molecular Weight:
291.2039
IUPAC Name:
2-benzylselanylbenzoic acid
InChI:
InChI=1S/C14H12O2Se/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChI Key:
NPIWPWWOMJFEJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1[Se]Cc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.219g/mol
Monoisotopic Mass:
292g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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