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223557-21-9 | 4-Bromo-N-cyclopentylbenzamide
CAS No: 223557-21-9 Catalog No: AG003SXE MDL No:MFCD00588998
Product Description
Catalog Number:
AG003SXE
Chemical Name:
4-Bromo-N-cyclopentylbenzamide
CAS Number:
223557-21-9
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
MDL Number:
MFCD00588998
IUPAC Name:
4-bromo-N-cyclopentylbenzamide
InChI:
InChI=1S/C12H14BrNO/c13-10-7-5-9(6-8-10)12(15)14-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,14,15)
InChI Key:
IPHFDTAHDKYHRW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)NC1CCCC1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.154g/mol
Monoisotopic Mass:
267.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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