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1379344-10-1 | 3-Butyn-2-ol, 4-(3-amino-6-bromo-2-pyrazinyl)-2-methyl-
CAS No: 1379344-10-1 Catalog No: AG0017NL MDL No:
Product Description
Catalog Number:
AG0017NL
Chemical Name:
3-Butyn-2-ol, 4-(3-amino-6-bromo-2-pyrazinyl)-2-methyl-
CAS Number:
1379344-10-1
Molecular Formula:
C9H10BrN3O
Molecular Weight:
256.0992
IUPAC Name:
4-(3-amino-6-bromopyrazin-2-yl)-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C9H10BrN3O/c1-9(2,14)4-3-6-8(11)12-5-7(10)13-6/h5,14H,1-2H3,(H2,11,12)
InChI Key:
HXFWQTYUWRVUOK-UHFFFAOYSA-N
SMILES:
CC(C#Cc1nc(Br)cnc1N)(O)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.103g/mol
Monoisotopic Mass:
255.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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