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N-({5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}methyl)-2H-1,2,3,4-tetrazol-5-amine

N-({5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}methyl)-2H-1,2,3,4-tetrazol-5-amine

Formula: C15H12BrCl2N5O

SMILES: ClC1=CC=C(COC2=CC=C(Br)C=C2CNC2=NNN=N2)C(Cl)=C1

IUPAC: N-({5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}methyl)-2H-1,2,3,4-tetrazol-5-amine

InChI: InChI=1S/C15H12BrCl2N5O/c16-11-2-4-14(10(5-11)7-19-15-20-22-23-21-15)24-8-9-1-3-12(17)6-13(9)18/h1-6H,7-8H2,(H2,19,20,21,22,23)

Composition: C (41.99%), H (2.82%), Br (18.62%), Cl (16.52%), N (16.32%), O (3.73%)

Molar Mass: 429.1

Atom Count: 36

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 426.960228
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey LDIMHUOORAWHLI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 101.07
Topological Polar Surface Area 75.72
Polarizability 36.77
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H12BrCl2N5O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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