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88310-65-0 | 1-Propene, 2-chloro-1-isocyanato-
CAS No: 88310-65-0 Catalog No: AG0048Q0 MDL No:
Product Description
Catalog Number:
AG0048Q0
Chemical Name:
1-Propene, 2-chloro-1-isocyanato-
CAS Number:
88310-65-0
Molecular Formula:
C4H4ClNO
Molecular Weight:
117.5337
IUPAC Name:
2-chloro-1-isocyanatoprop-1-ene
InChI:
InChI=1S/C4H4ClNO/c1-4(5)2-6-3-7/h2H,1H3
InChI Key:
RRYFGEDACCHPPR-UHFFFAOYSA-N
SMILES:
CC(=CN=C=O)Cl
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.998g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.532g/mol
Monoisotopic Mass:
116.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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