Cas no 80311-19-9 ()
structure
Product Name:
CAS No:80311-19-9
MF:C6H6ClNO
MW:143.570940494537
CID:6772835
PubChem ID:21972762
Update Time:2024-03-04
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C6H6ClNO/c1-4(9)5-2-3-6(7)8-5/h2-3,8H,1H3
- InChI Key： IFULTHBJBKOHFB-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(C)=O)N1
Computed Properties
- Exact Mass: 143.0137915g/mol
- Monoisotopic Mass: 143.0137915g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 32.9?2
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