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77744-06-0 | Methanone, (2-bromophenyl)-3-pyridinyl-
CAS No: 77744-06-0 Catalog No: AG0036N8 MDL No:MFCD13152907
Product Description
Catalog Number:
AG0036N8
Chemical Name:
Methanone, (2-bromophenyl)-3-pyridinyl-
CAS Number:
77744-06-0
Molecular Formula:
C12H8BrNO
Molecular Weight:
262.1020
MDL Number:
MFCD13152907
IUPAC Name:
(2-bromophenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C12H8BrNO/c13-11-6-2-1-5-10(11)12(15)9-4-3-7-14-8-9/h1-8H
InChI Key:
FCJKBXZWMOEGQH-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(=O)c1cccnc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.106g/mol
Monoisotopic Mass:
260.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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