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2937-23-7 | Phosphinic amide, P,P-bis(1-aziridinyl)-N-(5-bromo-2-pyrimidinyl)- (7CI,8CI,9CI)
CAS No: 2937-23-7 Catalog No: AG002Y6R MDL No:
Product Description
Catalog Number:
AG002Y6R
Chemical Name:
Phosphinic amide, P,P-bis(1-aziridinyl)-N-(5-bromo-2-pyrimidinyl)- (7CI,8CI,9CI)
CAS Number:
2937-23-7
Molecular Formula:
C8H11BrN5OP
Molecular Weight:
304.0836
IUPAC Name:
N-[bis(aziridin-1-yl)phosphoryl]-5-bromopyrimidin-2-amine
InChI:
InChI=1S/C8H11BrN5OP/c9-7-5-10-8(11-6-7)12-16(15,13-1-2-13)14-3-4-14/h5-6H,1-4H2,(H,10,11,12,15)
InChI Key:
NAQJVPZMGHCEHE-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)NP(=O)(N1CC1)N1CC1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.988g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.088g/mol
Monoisotopic Mass:
302.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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