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1004-01-9 | 2,4-Pyrimidinediamine, 5-bromo-
CAS No: 1004-01-9 Catalog No: AG0001WG MDL No:MFCD11848482
Product Description
Catalog Number:
AG0001WG
Chemical Name:
2,4-Pyrimidinediamine, 5-bromo-
CAS Number:
1004-01-9
Molecular Formula:
C4H5BrN4
Molecular Weight:
189.0133
MDL Number:
MFCD11848482
IUPAC Name:
5-bromopyrimidine-2,4-diamine
InChI:
InChI=1S/C4H5BrN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChI Key:
SUHXPSAYNUCJSC-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)Br
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.97g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.016g/mol
Monoisotopic Mass:
187.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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