BAZ1A-IN-1

CAT: 0607-BA4694-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4694-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

941521-45-5

Form

A solid

Molecular Formula

C16H12N4O3S

Molecular Weight

340.36

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Baz1A-IN-1

CAS Number	941521-45-5
PubChem CID	19257149
IUPAC Name	1-(3-nitrophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
Molecular Formula	C16H12N4O3S
Molecular Weight	340.4
XLogP	3.3
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	453

SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S/c21-15(17-12-7-4-8-13(9-12)20(22)23)19-16-18-14(10-24-16)11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,21)

InChIKey

UJRJAZDAWUSWRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 941521-45-5

CID: 19257149

Formula: C16H12N4O3S

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	340.06301143
Monoisotopic Mass	340.06301143
Topological Polar Surface Area	128 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	453
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