Name: Name:2-NITRO-4-(TRIFLUOROMETHYL)PHENYLTHIOGLYCOLIC ACID
Brand: Angene
SKU: AG00FD8Y
Rating: 90 (10 reviews)

2-NITRO-4-(TRIFLUOROMETHYL)PHENYLTHIOGLYCOLIC ACID

CAS No.:

728-56-3

Catalog Number:

AG00FD8Y

Molecular Formula:

C9H6F3NO4S

Molecular Weight:

281.2084

Catalog Number:

AG00FD8Y

Chemical Name:

2-NITRO-4-(TRIFLUOROMETHYL)PHENYLTHIOGLYCOLIC ACID

CAS Number:

728-56-3

Molecular Formula:

C9H6F3NO4S

Molecular Weight:

281.2084

MDL Number:

MFCD00177986

IUPAC Name:

2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetic acid

InChI:

InChI=1S/C9H6F3NO4S/c10-9(11,12)5-1-2-7(18-4-8(14)15)6(3-5)13(16)17/h1-3H,4H2,(H,14,15)

InChI Key:

UKWVKDJZWQVZEH-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1ccc(cc1[N+](=O)[O-])C(F)(F)F

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.205g/mol

Monoisotopic Mass:

280.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7