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116723-93-4 | 2-Buten-1-ol, 2-chloro-
CAS No: 116723-93-4 Catalog No: AG000D59 MDL No:
Product Description
Catalog Number:
AG000D59
Chemical Name:
2-Buten-1-ol, 2-chloro-
CAS Number:
116723-93-4
Molecular Formula:
C4H7ClO
Molecular Weight:
106.5508
IUPAC Name:
2-chlorobut-2-en-1-ol
InChI:
InChI=1S/C4H7ClO/c1-2-4(5)3-6/h2,6H,3H2,1H3
InChI Key:
PGWIETAKNLNHNW-UHFFFAOYSA-N
SMILES:
CC=C(CO)Cl
Properties
Complexity:
58.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.019g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
106.549g/mol
Monoisotopic Mass:
106.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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