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1455-99-8 | Benzamide, N-butyl-4-chloro-
CAS No: 1455-99-8 Catalog No: AG001D48 MDL No:
Product Description
Catalog Number:
AG001D48
Chemical Name:
Benzamide, N-butyl-4-chloro-
CAS Number:
1455-99-8
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
IUPAC Name:
N-butyl-4-chlorobenzamide
InChI:
InChI=1S/C11H14ClNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3,(H,13,14)
InChI Key:
WBKMAVFQCXJDDT-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1ccc(cc1)Cl
NSC Number:
404947
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.689g/mol
Monoisotopic Mass:
211.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| N-Butyl-4-chloro-benzamide. | Acta crystallographica. Section E, Structure reports online 20081201 |
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