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637-61-6 | N-CHLORO-P-BENZOQUINONEIMINE
CAS No: 637-61-6 Catalog No: AG003SWH MDL No:MFCD00058961
Product Description
Catalog Number:
AG003SWH
Chemical Name:
N-CHLORO-P-BENZOQUINONEIMINE
CAS Number:
637-61-6
MDL Number:
MFCD00058961
IUPAC Name:
4-chloroiminocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C6H4ClNO/c7-8-5-1-3-6(9)4-2-5/h1-4H
InChI Key:
ITUYMTWJWYTELW-UHFFFAOYSA-N
NSC Number:
448
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.998g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.554g/mol
Monoisotopic Mass:
140.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Transformation of the antibacterial agent sulfamethoxazole in reactions with chlorine: kinetics, mechanisms, and pathways. | Environmental science & technology 20041101 |
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