Structure

NSC 127755

CAS
31368-48-6
Catalog Number
ACM31368486
Category
Other Products
Molecular Formula
C23H30Cl2FN5O5S2

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Specification

Synonyms
NSC 127755
IUPAC Name
3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid
Canonical SMILES
CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C
InChI Key
JNVLQWBZTYBYKN-UHFFFAOYSA-N
Boiling Point
632.1ºC at 760 mmHg
Flash Point
336.1ºC
Exact Mass
609.10500
H-Bond Acceptor
11
H-Bond Donor
3
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