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87603-45-0 | 2-CHLORO-N-ISOBUTYLPROPANAMIDE
CAS No: 87603-45-0 Catalog No: AG004LR0 MDL No:MFCD09802009
Product Description
Catalog Number:
AG004LR0
Chemical Name:
2-CHLORO-N-ISOBUTYLPROPANAMIDE
CAS Number:
87603-45-0
Molecular Formula:
C7H14ClNO
Molecular Weight:
163.6452
MDL Number:
MFCD09802009
IUPAC Name:
2-chloro-N-(2-methylpropyl)propanamide
InChI:
InChI=1S/C7H14ClNO/c1-5(2)4-9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10)
InChI Key:
DACYGWNELUVMHS-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)C(Cl)C)C
Properties
Complexity:
114
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:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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