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13108-03-7 | Propanamide, N-butyl-3-chloro-
CAS No: 13108-03-7 Catalog No: AG000VIB MDL No:
Product Description
Catalog Number:
AG000VIB
Chemical Name:
Propanamide, N-butyl-3-chloro-
CAS Number:
13108-03-7
Molecular Formula:
C7H14ClNO
Molecular Weight:
163.6452
IUPAC Name:
N-butyl-3-chloropropanamide
InChI:
InChI=1S/C7H14ClNO/c1-2-3-6-9-7(10)4-5-8/h2-6H2,1H3,(H,9,10)
InChI Key:
PEITUJQSBGXXCZ-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)CCCl
Properties
Complexity:
95.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.076g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.645g/mol
Monoisotopic Mass:
163.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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