CC(=O)CCCl
CAS: 6322-49-2
Nombre: 4-chlorobutan-2-one
SMILES: CC(=O)CCCl

Molecular Processing

Molecular formula
C4H7ClO
Molecular weight
106.55
Exact mass
106.0185
XLogP
1.2
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
26.02

Supplementary Information

InChIKey: MAGOYBJJLVSJIC-UHFFFAOYSA-N
Sinónimos
4-Chloro-2-butanone4-Chlorobutan-2-one2-Butanone, 4-chloro-1-Chloro-3-butanone224CY68X2VEINECS 228-680-6NSC-32104DTXSID00212585NSC 32104RefChem:98353DTXCID30135076MAGOYBJJLVSJIC-UHFFFAOYSA-N6322-49-22-Chloroethyl methyl ketoneMFCD000371164-chloro-butan-2-onechloromethyl acetone1-Chloro-3-butanone; 2-Chloroethyl Methyl Ketone; 4-Chlorobutan-2-one; NSC 32104; ss-Chloroethyl Methyl KetoneNSC32104methyl beta-chloroethyl ketoneSCHEMBL665490UNII-224CY68X2VSCHEMBL7547549SCHEMBL27960590B-CHLOROETHYL METHYL KETONESBB007824AKOS005066933CS-W022162CS-12560SY066120
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