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Home > Nitro Compounds > 1197861-80-5
1197861-80-5 | 1-(2-nitrophenyl)-3-(prop-2-yn-1-yl)urea
CAS No: 1197861-80-5 Catalog No: AG019WVW MDL No:MFCD12913236
Product Description
Catalog Number:
AG019WVW
Chemical Name:
1-(2-nitrophenyl)-3-(prop-2-yn-1-yl)urea
CAS Number:
1197861-80-5
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD12913236
IUPAC Name:
1-(2-nitrophenyl)-3-prop-2-ynylurea
InChI:
InChI=1S/C10H9N3O3/c1-2-7-11-10(14)12-8-5-3-4-6-9(8)13(15)16/h1,3-6H,7H2,(H2,11,12,14)
InChI Key:
SEQOQCGOJWUQPZ-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)Nc1ccccc1[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:
0.9
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