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18039-03-7 | Benzamide, N,2,4-trimethyl-
CAS No: 18039-03-7 Catalog No: AG0021Z0 MDL No:
Product Description
Catalog Number:
AG0021Z0
Chemical Name:
Benzamide, N,2,4-trimethyl-
CAS Number:
18039-03-7
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
N,2,4-trimethylbenzamide
InChI:
InChI=1S/C10H13NO/c1-7-4-5-9(8(2)6-7)10(12)11-3/h4-6H,1-3H3,(H,11,12)
InChI Key:
HZLHGEXSJCRLKS-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cc1C)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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