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21900-47-0 | 3-Chloro-2-methylbenzoyl chloride
CAS No: 21900-47-0 Catalog No: AG01FEIA MDL No:MFCD11111059
Product Description
Catalog Number:
AG01FEIA
Chemical Name:
3-Chloro-2-methylbenzoyl chloride
CAS Number:
21900-47-0
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
MDL Number:
MFCD11111059
IUPAC Name:
3-chloro-2-methylbenzoyl chloride
InChI:
InChI=1S/C8H6Cl2O/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3
InChI Key:
MTTVMWJGVXXDFM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cccc(c1C)Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.035g/mol
Monoisotopic Mass:
187.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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