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Home > Bromides > 1269292-54-7
1269292-54-7 | 1H-Pyrazole-4-carbonitrile, 5-bromo-1-(1,1-dimethylethyl)-
CAS No: 1269292-54-7 Catalog No: AG000TKK MDL No:MFCD20275523
Product Description
Catalog Number:
AG000TKK
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-bromo-1-(1,1-dimethylethyl)-
CAS Number:
1269292-54-7
Molecular Formula:
C8H10BrN3
Molecular Weight:
228.0891
MDL Number:
MFCD20275523
IUPAC Name:
5-bromo-1-tert-butylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H10BrN3/c1-8(2,3)12-7(9)6(4-10)5-11-12/h5H,1-3H3
InChI Key:
SGLAHROBEUJHFC-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1Br)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.093g/mol
Monoisotopic Mass:
227.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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