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28832-55-5 | Butanal, 2-chloro-
CAS No: 28832-55-5 Catalog No: AG01FFLD MDL No:
Product Description
Catalog Number:
AG01FFLD
Chemical Name:
Butanal, 2-chloro-
CAS Number:
28832-55-5
Molecular Formula:
C4H7ClO
Molecular Weight:
106.5508
IUPAC Name:
2-chlorobutanal
InChI:
InChI=1S/C4H7ClO/c1-2-4(5)3-6/h3-4H,2H2,1H3
InChI Key:
PZGXJYSPQYRCBB-UHFFFAOYSA-N
SMILES:
CCC(C=O)Cl
Properties
Complexity:
44.8
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:
0
Isotope Atom Count:
0
Molecular Weight:
106.549g/mol
Monoisotopic Mass:
106.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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