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100129-14-4 | Benzamide, N-(2-bromoethyl)-4-ethoxy-
CAS No: 100129-14-4 Catalog No: AG00011N MDL No:
Product Description
Catalog Number:
AG00011N
Chemical Name:
Benzamide, N-(2-bromoethyl)-4-ethoxy-
CAS Number:
100129-14-4
Molecular Formula:
C11H14BrNO2
Molecular Weight:
272.1384
IUPAC Name:
N-(2-bromoethyl)-4-ethoxybenzamide
InChI:
InChI=1S/C11H14BrNO2/c1-2-15-10-5-3-9(4-6-10)11(14)13-8-7-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChI Key:
HPDPCDDOEXLXQP-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)c1ccc(cc1)OCC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.142g/mol
Monoisotopic Mass:
271.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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