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14377-33-4 | Benzoyl chloride, 3,5-bis(1,1-dimethylethyl)-
CAS No: 14377-33-4 Catalog No: AG001ICC MDL No:
Product Description
Catalog Number:
AG001ICC
Chemical Name:
Benzoyl chloride, 3,5-bis(1,1-dimethylethyl)-
CAS Number:
14377-33-4
Molecular Formula:
C15H21ClO
Molecular Weight:
252.7796
IUPAC Name:
3,5-ditert-butylbenzoyl chloride
InChI:
InChI=1S/C15H21ClO/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3
InChI Key:
HZBWOZJDPPOMOM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.128g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.782g/mol
Monoisotopic Mass:
252.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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