AG003L3X

5551-11-1 | Benzaldehyde, 4-​chloro-​2-​nitro-

AG003L3X

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CAS Number	5551-11-1
Catalog Number	AG003L3X(AGN-PC-0JLS5Z)
Chemical Name	Benzaldehyde, 4-​chloro-​2-​nitro-
EC Number	226-915-7
IUPAC Name	4-chloro-2-nitrobenzaldehyde
InChI	InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
InChI Key	MZPNQUMLOFWSEK-UHFFFAOYSA-N
MDL Number	MFCD00056104
Molecular Formula	C7H4ClNO3
Molecular Weight	185.5646
SMILES	N(=O)(=O)c1c(C=O)ccc(c1)Cl
Synonyms	4-Chloro-2-nitrobenzaldehyde, 5551-11-1, 2-NITRO-4-CHLOROBENZALDEHYDE, Benzaldehyde, 4-chloro-2-nitro-, MZPNQUMLOFWSEK-UHFFFAOYSA-N, EINECS 226-915-7, PubChem4185, ACMC-1ATPM, AC1Q6PZV, AC1L2XW6, KSC497O5T, SCHEMBL203086, 4-chloro-2-nitro-benzaldehyde, CTK3J7759, DTXSID90204090, ACT00369, BCP04240, KS-00000O1Q, ZINC2516159, ANW-13991, BBL103239, CC0098, CL8341, MFCD00056104, RW3377, STL557049, AKOS005255276, AKOS015888124, AB02299, AS03029, AS04640, CM14010, CS-W008724, GS-3080, QC-1935, RP24563, RTR-019570, TRA-0184071, AJ-36955, AK-29395, BC227704, BP-20199, BR-29395, CJ-08723, L682, SC-05311, AB1007384, DB-006753, ST2411291, TR-019570, AM20040711, FT-0081559, FT-0600662, M-2511, 58794-EP2272817A1, 58794-EP2305682A1, 58794-EP2305687A1, 58794-EP2308879A1, 551C111, I01-0199, Q-200450, null, C7H4ClNO3, 4-chloro-1,1-diethoxybutane, cc-179, CID79674, AR-1G1585, c0964, 4-Chloro-2-nitrobenzaldehyde, 98% - 1G 1g, 5842-11-5,

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	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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