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116400-62-5 | 2-Propenenitrile, 3,3-dichloro-2-(methyleneamino)-
CAS No: 116400-62-5 Catalog No: AG000CEF MDL No:
Product Description
Catalog Number:
AG000CEF
Chemical Name:
2-Propenenitrile, 3,3-dichloro-2-(methyleneamino)-
CAS Number:
116400-62-5
Molecular Formula:
C4H2Cl2N2
Molecular Weight:
148.9781
IUPAC Name:
3,3-dichloro-2-(methylideneamino)prop-2-enenitrile
InChI:
InChI=1S/C4H2Cl2N2/c1-8-3(2-7)4(5)6/h1H2
InChI Key:
FLGWGXNZCKOAFR-UHFFFAOYSA-N
SMILES:
C=NC(=C(Cl)Cl)C#N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.96g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.974g/mol
Monoisotopic Mass:
147.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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