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145252-13-7 | Butanimidoyl chloride, N-[[[(2-methylphenyl)amino]carbonyl]oxy]-
CAS No: 145252-13-7 Catalog No: AG001KQB MDL No:
Product Description
Catalog Number:
AG001KQB
Chemical Name:
Butanimidoyl chloride, N-[[[(2-methylphenyl)amino]carbonyl]oxy]-
CAS Number:
145252-13-7
Molecular Formula:
C12H15ClN2O2
Molecular Weight:
254.7127
IUPAC Name:
(1-chlorobutylideneamino) N-(2-methylphenyl)carbamate
InChI:
InChI=1S/C12H15ClN2O2/c1-3-6-11(13)15-17-12(16)14-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)
InChI Key:
ROFUCKVAINOTFB-UHFFFAOYSA-N
SMILES:
CCCC(=NOC(=O)Nc1ccccc1C)Cl
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.714g/mol
Monoisotopic Mass:
254.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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