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864738-25-0 | Carbamic acid, (2-benzothiazolylmethyl)-, 1,1-dimethylethyl ester
CAS No: 864738-25-0 Catalog No: AG00IE37 MDL No:MFCD21105873
Product Description
Catalog Number:
AG00IE37
Chemical Name:
Carbamic acid, (2-benzothiazolylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
864738-25-0
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
MDL Number:
MFCD21105873
IUPAC Name:
tert-butyl N-(1,3-benzothiazol-2-ylmethyl)carbamate
InChI:
InChI=1S/C13H16N2O2S/c1-13(2,3)17-12(16)14-8-11-15-9-6-4-5-7-10(9)18-11/h4-7H,8H2,1-3H3,(H,14,16)
InChI Key:
WDBJYSYXXUQTSI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1nc2c(s1)cccc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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