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(4-Azidophenyl) acetic acid

CAT: 0926-MCA89337-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-MCA89337-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62893-37-2
MDL Number
MFCD22989463
Smiles
C1=CC (=CC=C1CC (=O) O) N=[N+]=[N-]
Molecular Formula
C8H7N3O2
Molecular Weight
177.16 g/mol
Controlled
No

Chemical Information

2-(4-Azidophenyl)acetic acid
CAS Number62893-37-2
PubChem CID359422
IUPAC Name2-(4-azidophenyl)acetic acid
Molecular FormulaC8H7N3O2
Molecular Weight177.16
XLogP2.6
Topological Polar Surface Area51.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity228
SMILES
C1=CC(=CC=C1CC(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C8H7N3O2/c9-11-10-7-3-1-6(2-4-7)5-8(12)13/h1-4H,5H2,(H,12,13)
InChIKey
QQKGBHZEZFKXGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Azidophenyl)acetic acid
CAS: 62893-37-2
CID: 359422
Formula: C8H7N3O2
MW: 177.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.16
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass177.053826475
Monoisotopic Mass177.053826475
Topological Polar Surface Area51.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity228
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes