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89375-10-0 | Carbamic chloride, butyl[[(3,4-dichlorophenyl)amino]carbonyl]-
CAS No: 89375-10-0 Catalog No: AG003X71 MDL No:
Product Description
Catalog Number:
AG003X71
Chemical Name:
Carbamic chloride, butyl[[(3,4-dichlorophenyl)amino]carbonyl]-
CAS Number:
89375-10-0
Molecular Formula:
C12H13Cl3N2O2
Molecular Weight:
323.6028
IUPAC Name:
N-butyl-N-[(3,4-dichlorophenyl)carbamoyl]carbamoyl chloride
InChI:
InChI=1S/C12H13Cl3N2O2/c1-2-3-6-17(11(15)18)12(19)16-8-4-5-9(13)10(14)7-8/h4-5,7H,2-3,6H2,1H3,(H,16,19)
InChI Key:
IYFHEQAHEBLLTR-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C(=O)Cl
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.004g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.598g/mol
Monoisotopic Mass:
322.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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