1H-Pyrrole-2-carbonitrile, 4-chloro-


Chemical Name: 1H-Pyrrole-2-carbonitrile, 4-chloro-
CAS Number: 57097-45-7
Product Number: AG00F0P5(AGN-PC-0NIATY)
Synonyms:
MDL No:
Molecular Formula: C5H3ClN2
Molecular Weight: 126.5437

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
126.543g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
125.998g/mol
Monoisotopic Mass:
125.998g/mol
Topological Polar Surface Area:
39.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
126
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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