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783-59-5 | P,P-BIS(1-AZIRIDINYL)-N-(5-BROMO-2-METHYL-PYRIMIDIN-4-YL)PHOSPHINIC AMIDE
CAS No: 783-59-5 Catalog No: AG005BEZ MDL No:
Product Description
Catalog Number:
AG005BEZ
Chemical Name:
P,P-BIS(1-AZIRIDINYL)-N-(5-BROMO-2-METHYL-PYRIMIDIN-4-YL)PHOSPHINIC AMIDE
CAS Number:
783-59-5
Molecular Formula:
C9H13BrN5OP
Molecular Weight:
318.1102
IUPAC Name:
N-[bis(aziridin-1-yl)phosphoryl]-5-bromo-2-methylpyrimidin-4-amine
InChI:
InChI=1S/C9H13BrN5OP/c1-7-11-6-8(10)9(12-7)13-17(16,14-2-3-14)15-4-5-15/h6H,2-5H2,1H3,(H,11,12,13,16)
InChI Key:
QUEPGTOCSWWYEK-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1NP(=O)(N1CC1)N1CC1)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.115g/mol
Monoisotopic Mass:
317.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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