Name: Name:2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carboxylic acid
Brand: Angene
SKU: AG01EKK7
Rating: 90 (10 reviews)

2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carboxylic acid

CAS No.:

1018498-33-3

Catalog Number:

AG01EKK7

Molecular Formula:

C16H13NO3

Molecular Weight:

267.2793

Catalog Number:

AG01EKK7

Chemical Name:

2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carboxylic acid

CAS Number:

1018498-33-3

Molecular Formula:

C16H13NO3

Molecular Weight:

267.2793

MDL Number:

MFCD10024020

IUPAC Name:

2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carboxylic acid

InChI:

InChI=1S/C16H13NO3/c1-9-3-4-11(7-10(9)2)15-17-13-8-12(16(18)19)5-6-14(13)20-15/h3-8H,1-2H3,(H,18,19)

InChI Key:

PYUABBLQKWGTOT-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)nc(o2)c1ccc(c(c1)C)C

Complexity:

373

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.284g/mol

Monoisotopic Mass:

267.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7