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116016-65-0 | 3-Thiophenecarboxaldehyde, 2-bromo-5-phenyl-
CAS No: 116016-65-0 Catalog No: AG000BDS MDL No:
Product Description
Catalog Number:
AG000BDS
Chemical Name:
3-Thiophenecarboxaldehyde, 2-bromo-5-phenyl-
CAS Number:
116016-65-0
Molecular Formula:
C11H7BrOS
Molecular Weight:
267.1417
IUPAC Name:
2-bromo-5-phenylthiophene-3-carbaldehyde
InChI:
InChI=1S/C11H7BrOS/c12-11-9(7-13)6-10(14-11)8-4-2-1-3-5-8/h1-7H
InChI Key:
PNNQXYOKWBKBCA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(sc1Br)c1ccccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.94g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.14g/mol
Monoisotopic Mass:
265.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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