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860785-09-7

860785-09-7 | 1-(1,3-benzoxazol-6-yl)-3-(prop-2-en-1-yl)urea

CAS No: 860785-09-7 Catalog No: AG00INSM MDL No:MFCD03617884

Product Description

Catalog Number:
AG00INSM
Chemical Name:
1-(1,3-benzoxazol-6-yl)-3-(prop-2-en-1-yl)urea
CAS Number:
860785-09-7
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD03617884
IUPAC Name:
1-(1,3-benzoxazol-6-yl)-3-prop-2-enylurea
InChI:
InChI=1S/C11H11N3O2/c1-2-5-12-11(15)14-8-3-4-9-10(6-8)16-7-13-9/h2-4,6-7H,1,5H2,(H2,12,14,15)
InChI Key:
DCQRSXQABSMAOH-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)Nc1ccc2c(c1)ocn2

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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