Name: Name:4-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
Brand: Angene
SKU: AG01C5IT
Rating: 90 (10 reviews)

4-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

CAS No.:

1135492-13-5

Catalog Number:

AG01C5IT

Molecular Formula:

C9H7ClO2

Molecular Weight:

182.6037

Catalog Number:

AG01C5IT

Chemical Name:

4-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

CAS Number:

1135492-13-5

Molecular Formula:

C9H7ClO2

Molecular Weight:

182.6037

MDL Number:

MFCD20660260

IUPAC Name:

4-chlorobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid

InChI:

InChI=1S/C9H7ClO2/c10-6-2-1-5-3-8(9(11)12)7(5)4-6/h1-2,4,8H,3H2,(H,11,12)

InChI Key:

CTCLGKJXFSNVQT-UHFFFAOYSA-N

SMILES:

OC(=O)C1Cc2c1cc(cc2)Cl

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.603g/mol

Monoisotopic Mass:

182.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3