AG00G3PE

7497-07-6 | 3,4-Dichloro-N-(1-Methylbutyl)benza-Mide

AG00G3PE

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CAS Number	7497-07-6
Catalog Number	AG00G3PE(AGN-PC-0JMHQL)
Chemical Name	3,4-Dichloro-N-(1-Methylbutyl)benza-Mide
IUPAC Name	3,4-dichloro-N-pentan-2-ylbenzamide
InChI	InChI=1S/C12H15Cl2NO/c1-3-4-8(2)15-12(16)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChI Key	ARDYECYBETXQFD-UHFFFAOYSA-N
MDL Number	MFCD02006898
Molecular Formula	C12H15Cl2NO
Molecular Weight	260.1596
NSC Number	405020
SMILES	O=C(NC(CCC)C)C1=CC=C(Cl)C(Cl)=C1
Synonyms	NSC 405020, 7497-07-6, 3,4-dichloro-N-(pentan-2-yl)benzamide, NSC405020, 3,4-dichloro-N-pentan-2-ylbenzamide, NSC-405020, 3,4-Dichloro-N-(1-Methylbutyl)benza-Mide, STK029746, AC1L85MV, KS-00000TJC, AOB6759, DTXSID80323865, EX-A190, HMS3653L08, BCP08049, 2598AH, MFCD02006898, s8072, AKOS003260207, AKOS021774952, 3,4-Dichloro-N-(2-pentanyl)benzamide, CS-3243, LS41106, MCULE-6949455563, 3,4-Dichloro-N-(1-methylbutyl)benzamide, AK260659, BC600555, DA-48504, DS-10698, HY-15827, FT-0721918, ST50721491, SW219617-1, 3,4-dichloro-N~1~-(1-methylbutyl)benzamide, (3,4-dichlorophenyl)-N-(methylbutyl)carboxamide, C12H15Cl2NO, CID346721, ACN-038068, A4051, NSC405020, 98%, MT1-MMP inhibitor - 25MG 25mg, 21740-97-6,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.053g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	260.158g/mol
Monoisotopic Mass	259.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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