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Home > Nitro Compounds > 337531-29-0
337531-29-0 | 1-[2-(morpholin-4-yl)ethyl]-3-(4-nitrophenyl)thiourea
CAS No: 337531-29-0 Catalog No: AG00J04K MDL No:MFCD01567588
Product Description
Catalog Number:
AG00J04K
Chemical Name:
1-[2-(morpholin-4-yl)ethyl]-3-(4-nitrophenyl)thiourea
CAS Number:
337531-29-0
Molecular Formula:
C13H18N4O3S
Molecular Weight:
310.3720
MDL Number:
MFCD01567588
IUPAC Name:
1-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)thiourea
InChI:
InChI=1S/C13H18N4O3S/c18-17(19)12-3-1-11(2-4-12)15-13(21)14-5-6-16-7-9-20-10-8-16/h1-4H,5-10H2,(H2,14,15,21)
InChI Key:
LYLIPYDOCVRBDW-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)[N+](=O)[O-])NCCN1CCOCC1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.372g/mol
Monoisotopic Mass:
310.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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