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349092-70-2 | 2-Bromo-N,N-dibutylbenzamide
CAS No: 349092-70-2 Catalog No: AG003SIQ MDL No:MFCD00693779
Product Description
Catalog Number:
AG003SIQ
Chemical Name:
2-Bromo-N,N-dibutylbenzamide
CAS Number:
349092-70-2
Molecular Formula:
C15H22BrNO
Molecular Weight:
312.2453
MDL Number:
MFCD00693779
IUPAC Name:
2-bromo-N,N-dibutylbenzamide
InChI:
InChI=1S/C15H22BrNO/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3
InChI Key:
MSUBAUQKUIUIOU-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)c1ccccc1Br)CCCC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.251g/mol
Monoisotopic Mass:
311.088g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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