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Home > Bromides > 1250511-16-0
1250511-16-0 | 3-(4-bromophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole
CAS No: 1250511-16-0 Catalog No: AG01ELD0 MDL No:MFCD14627908
Product Description
Catalog Number:
AG01ELD0
Chemical Name:
3-(4-bromophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole
CAS Number:
1250511-16-0
Molecular Formula:
C11H12BrN3
Molecular Weight:
266.1371
MDL Number:
MFCD14627908
IUPAC Name:
3-(4-bromophenyl)-5-propan-2-yl-1H-1,2,4-triazole
InChI:
InChI=1S/C11H12BrN3/c1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14,15)
InChI Key:
JUEXRPGIUOSZHS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1n[nH]c(n1)C(C)C
Properties
Complexity:
202
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:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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