Name: Name:Benzoic acid, 3-chloro-2,6-dimethoxy-5-nitro-
Brand: Angene
SKU: AG00207N
Rating: 90 (10 reviews)

Benzoic acid, 3-chloro-2,6-dimethoxy-5-nitro-

CAS No.:

175135-56-5

Catalog Number:

AG00207N

Molecular Formula:

C9H8ClNO6

Molecular Weight:

261.6159

Catalog Number:

AG00207N

Chemical Name:

Benzoic acid, 3-chloro-2,6-dimethoxy-5-nitro-

CAS Number:

175135-56-5

Molecular Formula:

C9H8ClNO6

Molecular Weight:

261.6159

MDL Number:

MFCD00052955

IUPAC Name:

3-chloro-2,6-dimethoxy-5-nitrobenzoic acid

InChI:

InChI=1S/C9H8ClNO6/c1-16-7-4(10)3-5(11(14)15)8(17-2)6(7)9(12)13/h3H,1-2H3,(H,12,13)

InChI Key:

DQYMZXRGXUJHLS-UHFFFAOYSA-N

SMILES:

COc1c(cc(c(c1C(=O)O)OC)Cl)[N+](=O)[O-]

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.004g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.614g/mol

Monoisotopic Mass:

261.004g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8