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102711-79-5 | Cyanamide, (3,5-dichlorophenyl)- (9CI)
CAS No: 102711-79-5 Catalog No: AG00086P MDL No:
Product Description
Catalog Number:
AG00086P
Chemical Name:
Cyanamide, (3,5-dichlorophenyl)- (9CI)
CAS Number:
102711-79-5
Molecular Formula:
C7H4Cl2N2
Molecular Weight:
187.0261
IUPAC Name:
(3,5-dichlorophenyl)cyanamide
InChI:
InChI=1S/C7H4Cl2N2/c8-5-1-6(9)3-7(2-5)11-4-10/h1-3,11H
InChI Key:
JPFXHMSSRJRACX-UHFFFAOYSA-N
SMILES:
N#CNc1cc(Cl)cc(c1)Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.975g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.023g/mol
Monoisotopic Mass:
185.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Normal coordinate analyses of 3,5-dichlorophenylcyanamide. | Journal of molecular modeling 20040601 |
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