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1310808-34-4 | Benzoic acid, 3-[2-chloro-4-[(cyclopropylmethyl)amino]phenoxy]-5-(1-methylethoxy)-, methyl ester
CAS No: 1310808-34-4 Catalog No: AG000VIG MDL No:
Product Description
Catalog Number:
AG000VIG
Chemical Name:
Benzoic acid, 3-[2-chloro-4-[(cyclopropylmethyl)amino]phenoxy]-5-(1-methylethoxy)-, methyl ester
CAS Number:
1310808-34-4
Molecular Formula:
C21H24ClNO4
Molecular Weight:
389.8726
IUPAC Name:
methyl 3-[2-chloro-4-(cyclopropylmethylamino)phenoxy]-5-propan-2-yloxybenzoate
InChI:
InChI=1S/C21H24ClNO4/c1-13(2)26-17-8-15(21(24)25-3)9-18(11-17)27-20-7-6-16(10-19(20)22)23-12-14-4-5-14/h6-11,13-14,23H,4-5,12H2,1-3H3
InChI Key:
OEIZXRTUCTVWQK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)OC(C)C)Oc1ccc(cc1Cl)NCC1CC1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.139g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.876g/mol
Monoisotopic Mass:
389.139g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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