N-m-Tolylphthalamic Acid

CAT: 0127-OR1043904-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043904-01Size:10 g

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CAS Number

85-72-3

Synonyms

3'-Methylphthalanilic Acid

Purity

95%

Chemical Information

3'-Methylphthalanilic acid

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CAS Number	85-72-3
PubChem CID	6821
IUPAC Name	2-[(3-methylphenyl)carbamoyl]benzoic acid
Molecular Formula	C15H13NO3
Molecular Weight	255.27
XLogP	2.6
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	342

SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H13NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

InChIKey

AZPJXONNBLOZFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 85-72-3

CID: 6821

Formula: C15H13NO3

MW: 255.27

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	255.27
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	255.08954328
Monoisotopic Mass	255.08954328
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	342
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T16685-01	N-m-Tolylphthalamic acid
sc-295731A	N-meta-Tolylphthalamic Acid
T33553-01	N-(Diethylphosphorothioyl)-N-methylcarbamic acid, m-isopropylphe
HY-141289	N- (Propanoic acid) -N-bis (m-PEG12)
T18436-01	N- (m-PEG4) -N'- (PEG4-acid) -Cy5
MBS5771295	N-(m-PEG4)-N'-(PEG4-acid)-Cy5
GTR19225199-01	N- (m-PEG4) -N'- (PEG2-acid) -Cy5
GTR19225194-01	N- (m-PEG9) -N'- (PEG5-acid) -Cy5
MBS5771321	N-(Propanoic acid)-N-bis(m-PEG12)
MBS5771297	N-(m-PEG9)-N'-(PEG5-acid)-Cy5