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1187168-87-1 | 4-(4-Bromobenzoyl)-2-methylpyridine
CAS No: 1187168-87-1 Catalog No: AG01FDSJ MDL No:
Product Description
Catalog Number:
AG01FDSJ
Chemical Name:
4-(4-Bromobenzoyl)-2-methylpyridine
CAS Number:
1187168-87-1
Molecular Formula:
C13H10BrNO
Molecular Weight:
276.1286
IUPAC Name:
(4-bromophenyl)-(2-methylpyridin-4-yl)methanone
InChI:
InChI=1S/C13H10BrNO/c1-9-8-11(6-7-15-9)13(16)10-2-4-12(14)5-3-10/h2-8H,1H3
InChI Key:
SXNJEDIVLSIJQK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1ccnc(c1)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.995g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.133g/mol
Monoisotopic Mass:
274.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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