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2003-31-8 | 2-Propynenitrile, 3-chloro- (9CI)
CAS No: 2003-31-8 Catalog No: AG002CO6 MDL No:
Product Description
Catalog Number:
AG002CO6
Chemical Name:
2-Propynenitrile, 3-chloro- (9CI)
CAS Number:
2003-31-8
Molecular Formula:
C3ClN
Molecular Weight:
85.4918
IUPAC Name:
3-chloroprop-2-ynenitrile
InChI:
InChI=1S/C3ClN/c4-2-1-3-5
InChI Key:
XJKVOBGMBLGZQB-UHFFFAOYSA-N
SMILES:
ClC#CC#N
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.972g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
85.49g/mol
Monoisotopic Mass:
84.972g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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