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102306-48-9 | Methanone, 1-pyrrolidinyl(2,4,5-tribromo-1H-imidazol-1-yl)-
CAS No: 102306-48-9 Catalog No: AG00076F MDL No:
Product Description
Catalog Number:
AG00076F
Chemical Name:
Methanone, 1-pyrrolidinyl(2,4,5-tribromo-1H-imidazol-1-yl)-
CAS Number:
102306-48-9
Molecular Formula:
C8H8Br3N3O
Molecular Weight:
401.8806
IUPAC Name:
pyrrolidin-1-yl-(2,4,5-tribromoimidazol-1-yl)methanone
InChI:
InChI=1S/C8H8Br3N3O/c9-5-6(10)14(7(11)12-5)8(15)13-3-1-2-4-13/h1-4H2
InChI Key:
VRVJPMDCVAFSKC-UHFFFAOYSA-N
SMILES:
Brc1nc(c(n1C(=O)N1CCCC1)Br)Br
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.82g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.884g/mol
Monoisotopic Mass:
398.822g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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