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265646-77-3 | Urea, N-(4-bromophenyl)-N'-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-
CAS No: 265646-77-3 Catalog No: AG002TPO MDL No:
Product Description
Catalog Number:
AG002TPO
Chemical Name:
Urea, N-(4-bromophenyl)-N'-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-
CAS Number:
265646-77-3
Molecular Formula:
C14H10Br2N6O
Molecular Weight:
438.0768
IUPAC Name:
1-(4-bromophenyl)-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]urea
InChI:
InChI=1S/C14H10Br2N6O/c15-8-1-4-10(5-2-8)17-14(23)18-12-6-3-9(16)7-11(12)13-19-21-22-20-13/h1-7H,(H2,17,18,23)(H,19,20,21,22)
InChI Key:
HNCHAANFUMUUOD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC(=O)Nc1ccc(cc1c1n[nH]nn1)Br
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.926g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
438.083g/mol
Monoisotopic Mass:
435.928g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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