AG006Z6K

22233-54-1 | 3-Chloro-5-nitrobenzaldehyde

AG006Z6K

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CAS Number	22233-54-1
Catalog Number	AG006Z6K(AGN-PC-0NI8C5)
Chemical Name	3-Chloro-5-nitrobenzaldehyde
IUPAC Name	3-chloro-5-nitrobenzaldehyde
InChI	InChI=1S/C7H4ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H
InChI Key	KXGORBDLPVCCOJ-UHFFFAOYSA-N
MDL Number	MFCD08236780
Molecular Formula	C7H4ClNO3
Molecular Weight	185.5646
SMILES	ClC1=CC(=CC(=C1)C=O)[N+](=O)[O-]
Synonyms	3-Chloro-5-nitrobenzaldehyde, 22233-54-1, Benzaldehyde,3-chloro-5-nitro-, AK-34185, 3-nitro-5-chlorobenzaldehyde, 3-Chloro-5-nitro-benzaldehyde, SCHEMBL2537590, CTK4E8945, 3-chloranyl-5-nitro-benzaldehyde, DTXSID40482321, KXGORBDLPVCCOJ-UHFFFAOYSA-N, KS-00000L5R, ANW-50146, BBL101185, CL8318, FCH833001, MFCD08236780, STL554981, ZINC35569894, AKOS005257243, AB43996, GS-4184, VZ26671, ACM22233541, AJ-91519, BR-34185, CC-14796, CJ-18767, SC-47513, AB0023511, AX8004197, DB-006405, ST2417651, TC-030186, 4CH-014046, FT-0600620, W4583, S-5205, A816032, C-07401, C7H4ClNO3,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.988g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.563g/mol
Monoisotopic Mass	184.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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