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1027076-19-2 | Benzoxazole, 2-chloro-5-(1,1-dimethylethyl)-
CAS No: 1027076-19-2 Catalog No: AG00086K MDL No:MFCD11053025
Product Description
Catalog Number:
AG00086K
Chemical Name:
Benzoxazole, 2-chloro-5-(1,1-dimethylethyl)-
CAS Number:
1027076-19-2
Molecular Formula:
C11H12ClNO
Molecular Weight:
209.6721
MDL Number:
MFCD11053025
IUPAC Name:
5-tert-butyl-2-chloro-1,3-benzoxazole
InChI:
InChI=1S/C11H12ClNO/c1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9/h4-6H,1-3H3
InChI Key:
DSJHZFICMUDISP-UHFFFAOYSA-N
SMILES:
Clc1oc2c(n1)cc(cc2)C(C)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.673g/mol
Monoisotopic Mass:
209.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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