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830332-10-0 | Phenol, 2-[5-(4-bromophenyl)[3,4'-bi-1H-pyrazol]-3'-yl]-
CAS No: 830332-10-0 Catalog No: AG004XV0 MDL No:
Product Description
Catalog Number:
AG004XV0
Chemical Name:
Phenol, 2-[5-(4-bromophenyl)[3,4'-bi-1H-pyrazol]-3'-yl]-
CAS Number:
830332-10-0
Molecular Formula:
C18H13BrN4O
Molecular Weight:
381.2260
IUPAC Name:
2-[4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
InChI:
InChI=1S/C18H13BrN4O/c19-12-7-5-11(6-8-12)15-9-16(22-21-15)14-10-20-23-18(14)13-3-1-2-4-17(13)24/h1-10,24H,(H,20,23)(H,21,22)
InChI Key:
ZBQUTDWXGSUAOU-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1[nH]nc(c1)c1c[nH]nc1c1ccccc1O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.027g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
381.233g/mol
Monoisotopic Mass:
380.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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