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6961-74-6 | 2(1H)-Pyrimidinone,4-amino-6-[(3,4-dichlorophenyl)amino]-5-nitroso-
CAS No: 6961-74-6 Catalog No: AG005JYU MDL No:
Product Description
Catalog Number:
AG005JYU
Chemical Name:
2(1H)-Pyrimidinone,4-amino-6-[(3,4-dichlorophenyl)amino]-5-nitroso-
CAS Number:
6961-74-6
Molecular Formula:
C10H7Cl2N5O2
Molecular Weight:
300.1009
IUPAC Name:
6-amino-4-(3,4-dichloroanilino)-5-nitroso-1H-pyrimidin-2-one
InChI:
InChI=1S/C10H7Cl2N5O2/c11-5-2-1-4(3-6(5)12)14-9-7(17-19)8(13)15-10(18)16-9/h1-3H,(H4,13,14,15,16,18)
InChI Key:
ACZWXTVOAORTTK-UHFFFAOYSA-N
SMILES:
O=Nc1c(Nc2ccc(c(c2)Cl)Cl)nc(=O)[nH]c1N
NSC Number:
62751
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.998g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.099g/mol
Monoisotopic Mass:
298.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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