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Home > Nitro Compounds > 930417-68-8
930417-68-8 | 1-(3-nitrophenyl)-3-(prop-2-yn-1-yl)urea
CAS No: 930417-68-8 Catalog No: AG019WVV MDL No:MFCD09311878
Product Description
Catalog Number:
AG019WVV
Chemical Name:
1-(3-nitrophenyl)-3-(prop-2-yn-1-yl)urea
CAS Number:
930417-68-8
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD09311878
IUPAC Name:
1-(3-nitrophenyl)-3-prop-2-ynylurea
InChI:
InChI=1S/C10H9N3O3/c1-2-6-11-10(14)12-8-4-3-5-9(7-8)13(15)16/h1,3-5,7H,6H2,(H2,11,12,14)
InChI Key:
UMPRMLIUSKAAIF-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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