Home Halogens 1H-Pyrazol-3-amine, 5-(3,4-dichlorophenyl)-, hydrochloride (1:1)

1H-Pyrazol-3-amine, 5-(3,4-dichlorophenyl)-, hydrochloride (1:1)

CAS No.:
1025447-55-5
Catalog Number:
AG0007OT
Molecular Formula:
C9H8Cl3N3
Molecular Weight:
264.5389
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Product Description
Catalog Number:
AG0007OT
Chemical Name:
1H-Pyrazol-3-amine, 5-(3,4-dichlorophenyl)-, hydrochloride (1:1)
CAS Number:
1025447-55-5
Molecular Formula:
C9H8Cl3N3
Molecular Weight:
264.5389
MDL Number:
MFCD06653328
IUPAC Name:
5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine;hydrochloride
InChI:
InChI=1S/C9H7Cl2N3.ClH/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8;/h1-4H,(H3,12,13,14);1H
InChI Key:
PSJQDSKWFKDJSE-UHFFFAOYSA-N
SMILES:
Nc1n[nH]c(c1)c1ccc(c(c1)Cl)Cl.Cl
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.978g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
264.534g/mol
Monoisotopic Mass:
262.978g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties