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1000344-05-7 | 1H-Indazol-5-amine, 4-bromo-3-chloro-
CAS No: 1000344-05-7 Catalog No: AG0000M0 MDL No:
Product Description
Catalog Number:
AG0000M0
Chemical Name:
1H-Indazol-5-amine, 4-bromo-3-chloro-
CAS Number:
1000344-05-7
Molecular Formula:
C7H5BrClN3
Molecular Weight:
246.4917
IUPAC Name:
4-bromo-3-chloro-2H-indazol-5-amine
InChI:
InChI=1S/C7H5BrClN3/c8-6-3(10)1-2-4-5(6)7(9)12-11-4/h1-2H,10H2,(H,11,12)
InChI Key:
ZJTPGVQKQTWIRH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1Br)c(Cl)n[nH]2
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.936g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.492g/mol
Monoisotopic Mass:
244.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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