4-Formamidobenzoic acid

CAT: 0127-OR91242-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR91242-01Size:250 mg

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CAS Number

28533-43-9

MDL Number

MFCD00021026

Purity

98%

Smiles

O=CNC1=CC=C(C(O)=O)C=C1

Chemical Information

4-(Formylamino)benzoic acid

CAS Number	28533-43-9
PubChem CID	232524
IUPAC Name	4-formamidobenzoic acid
Molecular Formula	C8H7NO3
Molecular Weight	165.15
XLogP	0.9
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	173

SMILES

C1=CC(=CC=C1C(=O)O)NC=O

InChI

InChI=1S/C8H7NO3/c10-5-9-7-3-1-6(2-4-7)8(11)12/h1-5H,(H,9,10)(H,11,12)

InChIKey

ZBCGPWAZRMLTKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28533-43-9

CID: 232524

Formula: C8H7NO3

MW: 165.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.15
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.042593085
Monoisotopic Mass	165.042593085
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	173
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
OR1005967	2-Formamidobenzoic acid
PC3392-01	4,4,4-Trifluorocrotonic acid
OR73423-01	4,4',4''-Nitrilotribenzoic acid
OR0757	4,4,4-Trichlorobutyric acid
OR1078760-01	4,4'-Isopropylidenediphenoxyacetic Acid
OR1030844-01	4,4’-Disulfanediyldibutanoic Acid
PC102838-01	4,4-Difluorobutanoic acid
PC101515	4,4-Difluoropentanoic acid
OR1011313-01	4,4'-Dithiobisbenzoic Acid
PC107492	4,4-Difluorobutenoic acid

Catalog	Name
T125028-01	2-Formamidobenzoic acid
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
MBS6028591-01	4-Mercaptophenylbutyric Acid (4-(4-Mercaptophenyl)butyric Acid)
sc-277680	4,4,4-Trichlorobutyric acid
108847-20-8-01	Dibenzothiophene-4-boronic acid; 4-DIBENZOTHIENYLBORONIC ACID
sc-262191	4,4,4-Trifluorobutyric acid
FD54832-01	4,4'-Dibenzoic acid
FD22559-01	4,4'-Dithiobisbenzoic acid
433558-01	4,4'-Biphenyldiboronic acid
009528	4,4-Difluorocyclohexanecarboxylic Acid