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86586-81-4 | Carbamic chloride, (2,6-dimethylphenyl)(1-methylethenyl)-
CAS No: 86586-81-4 Catalog No: AG004U1E MDL No:
Product Description
Catalog Number:
AG004U1E
Chemical Name:
Carbamic chloride, (2,6-dimethylphenyl)(1-methylethenyl)-
CAS Number:
86586-81-4
Molecular Formula:
C12H14ClNO
Molecular Weight:
223.6987
IUPAC Name:
N-(2,6-dimethylphenyl)-N-prop-1-en-2-ylcarbamoyl chloride
InChI:
InChI=1S/C12H14ClNO/c1-8(2)14(12(13)15)11-9(3)6-5-7-10(11)4/h5-7H,1H2,2-4H3
InChI Key:
NTXRGSYAQRVRJG-UHFFFAOYSA-N
SMILES:
CC(=C)N(c1c(C)cccc1C)C(=O)Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.7g/mol
Monoisotopic Mass:
223.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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