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175135-29-2 | 1H-Pyrazole, 3,4,5-tribromo-1-(4-nitrophenyl)-
CAS No: 175135-29-2 Catalog No: AG00206Z MDL No:MFCD00052884
Product Description
Catalog Number:
AG00206Z
Chemical Name:
1H-Pyrazole, 3,4,5-tribromo-1-(4-nitrophenyl)-
CAS Number:
175135-29-2
Molecular Formula:
C9H4Br3N3O2
Molecular Weight:
425.8590
MDL Number:
MFCD00052884
IUPAC Name:
3,4,5-tribromo-1-(4-nitrophenyl)pyrazole
InChI:
InChI=1S/C9H4Br3N3O2/c10-7-8(11)13-14(9(7)12)5-1-3-6(4-2-5)15(16)17/h1-4H
InChI Key:
KYBWIMVHKGHUGS-UHFFFAOYSA-N
SMILES:
Brc1nn(c(c1Br)Br)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.783g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.862g/mol
Monoisotopic Mass:
422.785g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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