3-Azidobenzoic Acid

CAT: 1596-AR-B06685-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06685-01Size:10 Units

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CAS Number

1843-35-2

Molecular Formula

C7H5N3O2

Molecular Weight

163.14

API Name

Benzoic acid

Chemical Information

3-Azidobenzoic Acid

CAS Number	1843-35-2
PubChem CID	11073743
IUPAC Name	3-azidobenzoic acid
Molecular Formula	C7H5N3O2
Molecular Weight	163.13
XLogP	2.3
Topological Polar Surface Area	51.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	223

SMILES

C1=CC(=CC(=C1)N=[N+]=[N-])C(=O)O

InChI

InChI=1S/C7H5N3O2/c8-10-9-6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12)

InChIKey

XBYIWVXXQSZTFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1843-35-2

CID: 11073743

Formula: C7H5N3O2

MW: 163.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.13
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	163.038176411
Monoisotopic Mass	163.038176411
Topological Polar Surface Area	51.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	223
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
BAA84335-01	3-Azidobenzoic acid
TRC-A822058-100MG	2-Azidobenzoic Acid
sc-460694A	P-Azidobenzoic acid
OR1043459-01	4-Azidobenzoic acid
A36843	P-Azidobenzoic acid 97%
241137-01	P-Azidobenzoic acid 98+% (HPLC)
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
C7173-500	3,3-Dimethylglutaric acid
HY-W016614	3,3'-Thiodipropanoic acid
FAA96183-01	3,3-oxydipropanoic acid