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130511-67-0

130511-67-0 | 1H-Pyrrole-2-carbonitrile, 3,4,5-tribromo-

CAS No: 130511-67-0 Catalog No: AG000UJV MDL No:MFCD27996962

Product Description

Catalog Number:
AG000UJV
Chemical Name:
1H-Pyrrole-2-carbonitrile, 3,4,5-tribromo-
CAS Number:
130511-67-0
Molecular Formula:
C5HBr3N2
Molecular Weight:
328.7868
MDL Number:
MFCD27996962
IUPAC Name:
3,4,5-tribromo-1H-pyrrole-2-carbonitrile
InChI:
InChI=1S/C5HBr3N2/c6-3-2(1-9)10-5(8)4(3)7/h10H
InChI Key:
UNNMRLKQCWKDDT-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c(c(c1Br)Br)Br

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.767g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
328.789g/mol
Monoisotopic Mass:
325.769g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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