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1152526-94-7 | 2-(4-Bromobenzyl)-4-methyl-2H-pyrazol-3-ylamine
CAS No: 1152526-94-7 Catalog No: AG01F9PW MDL No:
Product Description
Catalog Number:
AG01F9PW
Chemical Name:
2-(4-Bromobenzyl)-4-methyl-2H-pyrazol-3-ylamine
CAS Number:
1152526-94-7
Molecular Formula:
C11H12BrN3
Molecular Weight:
266.1371
IUPAC Name:
2-[(4-bromophenyl)methyl]-4-methylpyrazol-3-amine
InChI:
InChI=1S/C11H12BrN3/c1-8-6-14-15(11(8)13)7-9-2-4-10(12)5-3-9/h2-6H,7,13H2,1H3
InChI Key:
ADLFTOKBJPVDFA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Cn1ncc(c1N)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.142g/mol
Monoisotopic Mass:
265.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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