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1 Gram |
Negotiable |
2-amino-4-dichloroarsanyl-benzoic acid 5425-60-5 98%
Identification and Related Records
【Name】
2-amino-4-(dichloroarsanyl)benzoic acid
【Iupac name】
2-amino-4-dichloroarsanylbenzoic acid hydrochloride
【CAS Registry number】
5425-60-5
【Synonyms】
ANTINEOPLASTIC-12613
NSC12613
NSC-12613
5425-60-5
【Molecular Formula】
C7H6AsCl2NO2 (Products with the same molecular formula)
【Molecular Weight】
281.9556
【Inchi】
InChI=1/C7H6AsCl2NO2/c9-8(10)4-1-2-5(7(12)13)6(11)3-4/h1-3H,11H2,(H,12,13)
【Canonical SMILES】
C1=CC(=C(C=C1[As](Cl)Cl)N)C(=O)O.Cl
【MOL File】
5425-60-5.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
434.4°C at 760 mmHg
【Flash Point】
216.5°C
【Computed Properties】
Molecular Weight:318.41658 [g/mol]
Molecular Formula:C7H7AsCl3NO2
H-Bond Donor:3
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:316.875833
MonoIsotopic Mass:316.875833
Topological Polar Surface Area:63.3
Heavy Atom Count:14
Formal Charge:0
Complexity:203
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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