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84389-35-5 | Benzoic acid, 4-azido-,2-(dimethylamino)ethyl ester
CAS No: 84389-35-5 Catalog No: AG0055RM MDL No:
Product Description
Catalog Number:
AG0055RM
Chemical Name:
Benzoic acid, 4-azido-,2-(dimethylamino)ethyl ester
CAS Number:
84389-35-5
Molecular Formula:
C11H14N4O2
Molecular Weight:
234.2545
IUPAC Name:
2-(dimethylamino)ethyl 4-azidobenzoate
InChI:
InChI=1S/C11H14N4O2/c1-15(2)7-8-17-11(16)9-3-5-10(6-4-9)13-14-12/h3-6H,7-8H2,1-2H3
InChI Key:
PQKIJCOGSCWWMN-UHFFFAOYSA-N
SMILES:
CN(CCOC(=O)c1ccc(cc1)N=[N+]=[N-])C
EC Number:
282-754-2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.259g/mol
Monoisotopic Mass:
234.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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