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1431963-28-8 | 1-[(4-bromophenoxy)methyl]-3,5-dimethyl-1H-pyrazol-4-amine hydrochloride
CAS No: 1431963-28-8 Catalog No: AG01FIML MDL No:
Product Description
Catalog Number:
AG01FIML
Chemical Name:
1-[(4-bromophenoxy)methyl]-3,5-dimethyl-1H-pyrazol-4-amine hydrochloride
CAS Number:
1431963-28-8
Molecular Formula:
C12H15BrClN3O
Molecular Weight:
332.6240
IUPAC Name:
1-[(4-bromophenoxy)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C12H14BrN3O.ClH/c1-8-12(14)9(2)16(15-8)7-17-11-5-3-10(13)4-6-11;/h3-6H,7,14H2,1-2H3;1H
InChI Key:
HRSRLROTTBRILO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)OCn1nc(c(c1C)N)C.Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.009g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.626g/mol
Monoisotopic Mass:
331.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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