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Home > Nitro Compounds > 775-11-1
775-11-1 | Urea,N-nitroso-N-(phenylmethyl)-
CAS No: 775-11-1 Catalog No: AG0059BA MDL No:MFCD01676879
Product Description
Catalog Number:
AG0059BA
Chemical Name:
Urea,N-nitroso-N-(phenylmethyl)-
CAS Number:
775-11-1
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
MDL Number:
MFCD01676879
IUPAC Name:
1-benzyl-1-nitrosourea
InChI:
InChI=1S/C8H9N3O2/c9-8(12)11(10-13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,12)
InChI Key:
HBOGKXXMRLVGFX-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)N)Cc1ccccc1
UNII:
66R25GI5ER
NSC Number:
67523
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Atl1 regulates choice between global genome and transcription-coupled repair of O(6)-alkylguanines. | Molecular cell 20120713 |
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