BA-53038B 10mg

CAT: 0628-A18703-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A18703-10Size:10 mg

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CAS Number

2306195-65-1

Chemical Information

N-(3-Chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide

CAS Number	2306195-65-1
PubChem CID	138454763
IUPAC Name	N-(3-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
Molecular Formula	C14H16ClNO
Molecular Weight	249.73
XLogP	3.9
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	295

SMILES

C1CCC2C(C1)C2C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H16ClNO/c15-9-4-3-5-10(8-9)16-14(17)13-11-6-1-2-7-12(11)13/h3-5,8,11-13H,1-2,6-7H2,(H,16,17)

InChIKey

ZLCICHYECNOTGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2306195-65-1

CID: 138454763

Formula: C14H16ClNO

MW: 249.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.73
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	249.0920418
Monoisotopic Mass	249.0920418
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	295
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ICM009 00050	MuLi Element Standard Solution For ICP 10 Components; 10mg/L Each Of Ag ; Al ; As ; B ; Ba ; Bi ; Ca ; Cd ; Na ; K In 5% HNO3 Traceable To NIST-10ppm
BA1841-5.1	BA-53038B
CP055-025	6-Benzylaminopurine (BA, 6-BA, BAP)
TP1913	BA 1
T73068-01	Mammea A/BA
ABC-TC060S	Ba/F3
MBS5779922	BA 41899
BUP20099-01	Soyasaponin Ba
GTR19209976-01	BA-1049