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101204-35-7 | Benzoic acid, 4-[2-[3,4-bis(1-methylethyl)phenyl]diazenyl]-
CAS No: 101204-35-7 Catalog No: AG0003YI MDL No:
Product Description
Catalog Number:
AG0003YI
Chemical Name:
Benzoic acid, 4-[2-[3,4-bis(1-methylethyl)phenyl]diazenyl]-
CAS Number:
101204-35-7
Molecular Formula:
C19H22N2O2
Molecular Weight:
310.3902
IUPAC Name:
4-[[3,4-di(propan-2-yl)phenyl]diazenyl]benzoic acid
InChI:
InChI=1S/C19H22N2O2/c1-12(2)17-10-9-16(11-18(17)13(3)4)21-20-15-7-5-14(6-8-15)19(22)23/h5-13H,1-4H3,(H,22,23)
InChI Key:
WRUGQQVPJFNGIK-UHFFFAOYSA-N
SMILES:
CC(c1cc(N=Nc2ccc(cc2)C(=O)O)ccc1C(C)C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.397g/mol
Monoisotopic Mass:
310.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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