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1261895-31-1 | Benzamide, 4-bromo-2-ethoxy-N-(1-methylethyl)-
CAS No: 1261895-31-1 Catalog No: AG000S3Z MDL No:MFCD18311848
Product Description
Catalog Number:
AG000S3Z
Chemical Name:
Benzamide, 4-bromo-2-ethoxy-N-(1-methylethyl)-
CAS Number:
1261895-31-1
Molecular Formula:
C12H16BrNO2
Molecular Weight:
286.1649
MDL Number:
MFCD18311848
IUPAC Name:
4-bromo-2-ethoxy-N-propan-2-ylbenzamide
InChI:
InChI=1S/C12H16BrNO2/c1-4-16-11-7-9(13)5-6-10(11)12(15)14-8(2)3/h5-8H,4H2,1-3H3,(H,14,15)
InChI Key:
AYTHWRLTUXEHPL-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)ccc1C(=O)NC(C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.169g/mol
Monoisotopic Mass:
285.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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