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100129-45-1 | Propanamide, 3-chloro-N-ethyl-N-phenyl-
CAS No: 100129-45-1 Catalog No: AG00011L MDL No:MFCD02973606
Product Description
Catalog Number:
AG00011L
Chemical Name:
Propanamide, 3-chloro-N-ethyl-N-phenyl-
CAS Number:
100129-45-1
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
MDL Number:
MFCD02973606
IUPAC Name:
3-chloro-N-ethyl-N-phenylpropanamide
InChI:
InChI=1S/C11H14ClNO/c1-2-13(11(14)8-9-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
UXMLUSLRVFUINU-UHFFFAOYSA-N
SMILES:
CCN(c1ccccc1)C(=O)CCCl
Properties
Complexity:
178
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:
0
Isotope Atom Count:
0
Molecular Weight:
211.689g/mol
Monoisotopic Mass:
211.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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