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80364-90-5 | 3-Chloro-N-(1-phenylethyl)propanamide
CAS No: 80364-90-5 Catalog No: AG0053N0 MDL No:MFCD00463567
Product Description
Catalog Number:
AG0053N0
Chemical Name:
3-Chloro-N-(1-phenylethyl)propanamide
CAS Number:
80364-90-5
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
MDL Number:
MFCD00463567
IUPAC Name:
3-chloro-N-(1-phenylethyl)propanamide
InChI:
InChI=1S/C11H14ClNO/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChI Key:
XMIFWHHFOCEJRN-UHFFFAOYSA-N
SMILES:
ClCCC(=O)NC(c1ccccc1)C
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:
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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