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76361-17-6 | 2-Propanol, 1-chloro-3-[(2,4-dichlorophenyl)amino]-
CAS No: 76361-17-6 Catalog No: AG005DYQ MDL No:
Product Description
Catalog Number:
AG005DYQ
Chemical Name:
2-Propanol, 1-chloro-3-[(2,4-dichlorophenyl)amino]-
CAS Number:
76361-17-6
Molecular Formula:
C9H10Cl3NO
Molecular Weight:
254.5408
IUPAC Name:
1-chloro-3-(2,4-dichloroanilino)propan-2-ol
InChI:
InChI=1S/C9H10Cl3NO/c10-4-7(14)5-13-9-2-1-6(11)3-8(9)12/h1-3,7,13-14H,4-5H2
InChI Key:
MYUZVLFJYQPSNW-UHFFFAOYSA-N
SMILES:
ClCC(CNc1ccc(cc1Cl)Cl)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.983g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.535g/mol
Monoisotopic Mass:
252.983g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of 3-arylamino-1-chloropropan-2-ols. | Bioorganic & medicinal chemistry letters 20080315 |
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